NPASS Natural Product

Natural Product: NPC228473

Natural Product ID:	NPC228473
Common Name:	Methyl (10E,12Z)-Octadeca-10,12-Dienoate
IUPAC Name:	methyl (10E,12Z)-octadeca-10,12-dienoate
Synonyms:
Molecular Formula:	C19H34O2
Standard InCHIKey:	KMXSXYSNZMSDFK-UQGDGPGGSA-N
Standard InCHI:	InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+
Canonical SMILES:	CCCCC/C=CC=CCCCCCCCCC(=O)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO3827	Violsse herba	NA	NA	NA				TCMSP*
NPO23320	Marsdenia tenacissima	Species	Apocynaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
GI50	55

Activity Type	# Activity
Cell Line	55

Target ID	Target Type	Target Name	Target Organism	Activity Type	Value	Unit	Reference
NPT368	Cell Line	SN12C	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT367	Cell Line	MDA-N	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT369	Cell Line	ACHN	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50	13867.56	nM	PubChem BioAssay data set
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT90	Cell Line	DU-145	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT374	Cell Line	SF-539	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	24043.63	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT376	Cell Line	A498	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT385	Cell Line	SR	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT384	Cell Line	TK-10	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT387	Cell Line	M14	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	29785.16	nM	PubChem BioAssay data set
NPT457	Cell Line	BT-549	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT83	Cell Line	MCF7	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT306	Cell Line	PC-3	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT396	Cell Line	T47D	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT401	Cell Line	786-0	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC228473 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	72
0.1-0.2	1056
0.2-0.3	7760
0.3-0.4	12142
0.4-0.5	6276
0.5-0.6	2953
0.6-0.7	468
0.7-0.8	108
0.8-0.85	23
0.85-0.9	20
0.9-0.95	8
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9608	High Similarity	NPC309606
0.9608	High Similarity	NPC39633
0.9608	High Similarity	NPC139545
0.9245	High Similarity	NPC128061
0.9245	High Similarity	NPC200845
0.9245	High Similarity	NPC10316
0.9245	High Similarity	NPC223677
0.9245	High Similarity	NPC28779
0.9216	High Similarity	NPC262968
0.9074	High Similarity	NPC18951
0.902	High Similarity	NPC224227
0.8868	High Similarity	NPC71761
0.8704	High Similarity	NPC32467
0.8704	High Similarity	NPC154245
0.8704	High Similarity	NPC88966
0.8704	High Similarity	NPC85813
0.8704	High Similarity	NPC87564
0.8704	High Similarity	NPC261831
0.8704	High Similarity	NPC6095
0.8704	High Similarity	NPC281972
0.8704	High Similarity	NPC25417
0.8704	High Similarity	NPC290563
0.8704	High Similarity	NPC424
0.8627	High Similarity	NPC216130
0.8571	High Similarity	NPC225929
0.8519	High Similarity	NPC70387
0.8519	High Similarity	NPC294548
0.8519	High Similarity	NPC139029
0.8519	High Similarity	NPC36061
0.8519	High Similarity	NPC321062
0.8519	High Similarity	NPC1813
0.8448	Intermediate Similarity	NPC143857
0.8448	Intermediate Similarity	NPC229252
0.8393	Intermediate Similarity	NPC477201
0.8333	Intermediate Similarity	NPC281245
0.8333	Intermediate Similarity	NPC92114
0.8333	Intermediate Similarity	NPC161366
0.8305	Intermediate Similarity	NPC201939
0.8197	Intermediate Similarity	NPC245947
0.8197	Intermediate Similarity	NPC136164
0.8197	Intermediate Similarity	NPC326268
0.8197	Intermediate Similarity	NPC255863
0.8197	Intermediate Similarity	NPC318420
0.8167	Intermediate Similarity	NPC54925
0.8136	Intermediate Similarity	NPC251042
0.8136	Intermediate Similarity	NPC174447
0.8136	Intermediate Similarity	NPC122521
0.8136	Intermediate Similarity	NPC243532
0.8113	Intermediate Similarity	NPC207815
0.807	Intermediate Similarity	NPC187777
0.807	Intermediate Similarity	NPC179764
0.8033	Intermediate Similarity	NPC328089
0.8033	Intermediate Similarity	NPC68343
0.8	Intermediate Similarity	NPC40082
0.7969	Intermediate Similarity	NPC473772
0.7966	Intermediate Similarity	NPC274927
0.7966	Intermediate Similarity	NPC106851
0.7963	Intermediate Similarity	NPC59051
0.7895	Intermediate Similarity	NPC54766
0.7895	Intermediate Similarity	NPC274290
0.7895	Intermediate Similarity	NPC473863
0.7846	Intermediate Similarity	NPC476660
0.7778	Intermediate Similarity	NPC5413
0.7778	Intermediate Similarity	NPC149821
0.7778	Intermediate Similarity	NPC163345
0.7705	Intermediate Similarity	NPC320305
0.7705	Intermediate Similarity	NPC328776
0.7679	Intermediate Similarity	NPC310746
0.7656	Intermediate Similarity	NPC473829
0.7656	Intermediate Similarity	NPC22101
0.7656	Intermediate Similarity	NPC475443
0.7656	Intermediate Similarity	NPC127091
0.7656	Intermediate Similarity	NPC104537
0.7656	Intermediate Similarity	NPC148192
0.7656	Intermediate Similarity	NPC271921
0.7656	Intermediate Similarity	NPC330426
0.7593	Intermediate Similarity	NPC180534
0.7593	Intermediate Similarity	NPC91495
0.7593	Intermediate Similarity	NPC207292
0.7586	Intermediate Similarity	NPC52264
0.7586	Intermediate Similarity	NPC474672
0.7576	Intermediate Similarity	NPC475310
0.7541	Intermediate Similarity	NPC235242
0.7541	Intermediate Similarity	NPC45097
0.7541	Intermediate Similarity	NPC299730
0.7541	Intermediate Similarity	NPC328311
0.7541	Intermediate Similarity	NPC327112
0.7538	Intermediate Similarity	NPC473559
0.7538	Intermediate Similarity	NPC324981
0.7538	Intermediate Similarity	NPC141481
0.7538	Intermediate Similarity	NPC48218
0.75	Intermediate Similarity	NPC469373
0.75	Intermediate Similarity	NPC474321
0.746	Intermediate Similarity	NPC470320
0.7458	Intermediate Similarity	NPC325977
0.7424	Intermediate Similarity	NPC317583
0.7424	Intermediate Similarity	NPC143396
0.7419	Intermediate Similarity	NPC174560
0.7419	Intermediate Similarity	NPC321838
0.7419	Intermediate Similarity	NPC125312
0.7414	Intermediate Similarity	NPC87394
0.7414	Intermediate Similarity	NPC137538
0.7407	Intermediate Similarity	NPC110234
0.7407	Intermediate Similarity	NPC44363
0.7407	Intermediate Similarity	NPC163751
0.7391	Intermediate Similarity	NPC228978
0.7385	Intermediate Similarity	NPC26500
0.7385	Intermediate Similarity	NPC99619
0.7368	Intermediate Similarity	NPC216407
0.7368	Intermediate Similarity	NPC18357
0.7344	Intermediate Similarity	NPC476657
0.7344	Intermediate Similarity	NPC476654
0.7344	Intermediate Similarity	NPC476655
0.7313	Intermediate Similarity	NPC42526
0.7286	Intermediate Similarity	NPC239127
0.7273	Intermediate Similarity	NPC218477
0.7255	Intermediate Similarity	NPC28598
0.7255	Intermediate Similarity	NPC161097
0.7246	Intermediate Similarity	NPC227396
0.7246	Intermediate Similarity	NPC306928
0.7231	Intermediate Similarity	NPC304665
0.7231	Intermediate Similarity	NPC126899
0.7231	Intermediate Similarity	NPC154728
0.7231	Intermediate Similarity	NPC476656
0.7231	Intermediate Similarity	NPC476659
0.7222	Intermediate Similarity	NPC239754
0.7222	Intermediate Similarity	NPC117572
0.7213	Intermediate Similarity	NPC267817
0.7213	Intermediate Similarity	NPC34416
0.7206	Intermediate Similarity	NPC320119
0.7193	Intermediate Similarity	NPC470412
0.7193	Intermediate Similarity	NPC284212
0.7193	Intermediate Similarity	NPC28205
0.7193	Intermediate Similarity	NPC470410
0.7188	Intermediate Similarity	NPC226592
0.7183	Intermediate Similarity	NPC145898
0.7143	Intermediate Similarity	NPC98284
0.7143	Intermediate Similarity	NPC255060
0.7143	Intermediate Similarity	NPC469414
0.7143	Intermediate Similarity	NPC250919
0.7143	Intermediate Similarity	NPC329826
0.7119	Intermediate Similarity	NPC322461
0.7101	Intermediate Similarity	NPC325627
0.7101	Intermediate Similarity	NPC167145
0.7101	Intermediate Similarity	NPC470237
0.7101	Intermediate Similarity	NPC326024
0.7101	Intermediate Similarity	NPC474705
0.7097	Intermediate Similarity	NPC329550
0.7097	Intermediate Similarity	NPC329249
0.7077	Intermediate Similarity	NPC317881
0.7077	Intermediate Similarity	NPC320642
0.7077	Intermediate Similarity	NPC323045
0.7049	Intermediate Similarity	NPC211752
0.7049	Intermediate Similarity	NPC323498
0.7049	Intermediate Similarity	NPC323597
0.7042	Intermediate Similarity	NPC899
0.7031	Intermediate Similarity	NPC155849
0.7015	Intermediate Similarity	NPC53302
0.7	Intermediate Similarity	NPC330016
0.7	Intermediate Similarity	NPC477984
0.7	Intermediate Similarity	NPC166797
0.7	Intermediate Similarity	NPC92558
0.6986	Remote Similarity	NPC263574
0.6986	Remote Similarity	NPC469747
0.6986	Remote Similarity	NPC158565
0.6981	Remote Similarity	NPC203531
0.6981	Remote Similarity	NPC236579
0.697	Remote Similarity	NPC16119
0.697	Remote Similarity	NPC142423
0.697	Remote Similarity	NPC308294
0.697	Remote Similarity	NPC284447
0.6957	Remote Similarity	NPC84038
0.6923	Remote Similarity	NPC12156
0.6923	Remote Similarity	NPC34883
0.6923	Remote Similarity	NPC476658
0.6912	Remote Similarity	NPC199557
0.6901	Remote Similarity	NPC476844
0.6897	Remote Similarity	NPC477458
0.6897	Remote Similarity	NPC48162
0.6892	Remote Similarity	NPC469920
0.6885	Remote Similarity	NPC327388
0.6875	Remote Similarity	NPC477829
0.6866	Remote Similarity	NPC49863
0.6866	Remote Similarity	NPC474619
0.6863	Remote Similarity	NPC305660
0.6863	Remote Similarity	NPC54980
0.6863	Remote Similarity	NPC22903
0.6863	Remote Similarity	NPC201622
0.6852	Remote Similarity	NPC270796
0.6849	Remote Similarity	NPC4827
0.6833	Remote Similarity	NPC269615
0.6825	Remote Similarity	NPC474267
0.6825	Remote Similarity	NPC322002
0.6818	Remote Similarity	NPC98897
0.6818	Remote Similarity	NPC133904
0.6806	Remote Similarity	NPC472967
0.6806	Remote Similarity	NPC266159
0.6806	Remote Similarity	NPC474447
0.678	Remote Similarity	NPC170167
0.678	Remote Similarity	NPC106531

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC228473 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	74
0.1-0.2	1817
0.2-0.3	4608
0.3-0.4	1863
0.4-0.5	607
0.5-0.6	142
0.6-0.7	32
0.7-0.8	10
0.8-0.85	1
0.85-0.9	5
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9216	High Similarity	NPD29	Approved
0.9216	High Similarity	NPD28	Approved
0.8704	High Similarity	NPD3195	Phase 2
0.8704	High Similarity	NPD4266	Approved
0.8704	High Similarity	NPD3196	Approved
0.8704	High Similarity	NPD3194	Approved
0.8519	High Similarity	NPD3172	Approved
0.8235	Intermediate Similarity	NPD3174	Discontinued
0.7925	Intermediate Similarity	NPD5343	Approved
0.7778	Intermediate Similarity	NPD3173	Approved
0.7742	Intermediate Similarity	NPD3197	Phase 1
0.7593	Intermediate Similarity	NPD622	Approved
0.7541	Intermediate Similarity	NPD4246	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD8039	Approved
0.7358	Intermediate Similarity	NPD6096	Approved
0.7358	Intermediate Similarity	NPD6097	Approved
0.7222	Intermediate Similarity	NPD39	Approved
0.7222	Intermediate Similarity	NPD4222	Approved
0.697	Remote Similarity	NPD6108	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD4247	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD3206	Approved
0.6852	Remote Similarity	NPD5326	Phase 3
0.6727	Remote Similarity	NPD2699	Approved
0.6712	Remote Similarity	NPD4756	Discovery
0.661	Remote Similarity	NPD6927	Phase 3
0.6481	Remote Similarity	NPD2270	Approved
0.6406	Remote Similarity	NPD6109	Phase 1
0.64	Remote Similarity	NPD3732	Approved
0.6364	Remote Similarity	NPD5369	Approved
0.6282	Remote Similarity	NPD6435	Approved
0.6234	Remote Similarity	NPD5368	Approved
0.6232	Remote Similarity	NPD7331	Phase 2
0.6203	Remote Similarity	NPD7154	Phase 3
0.6203	Remote Similarity	NPD5362	Discontinued
0.6184	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6176	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6145	Remote Similarity	NPD6101	Approved
0.6145	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.614	Remote Similarity	NPD3199	Clinical (unspecified phase)
0.6111	Remote Similarity	NPD9448	Phase 2
0.6111	Remote Similarity	NPD633	Phase 3
0.6102	Remote Similarity	NPD6125	Clinical (unspecified phase)
0.6076	Remote Similarity	NPD4270	Approved
0.6076	Remote Similarity	NPD4269	Approved
0.6029	Remote Similarity	NPD2664	Clinical (unspecified phase)
0.6026	Remote Similarity	NPD4252	Approved
0.6026	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6	Remote Similarity	NPD4220	Pre-registration
0.6	Remote Similarity	NPD7983	Approved
0.6	Remote Similarity	NPD6411	Approved
0.5976	Remote Similarity	NPD5786	Approved
0.5974	Remote Similarity	NPD4268	Approved
0.5974	Remote Similarity	NPD4271	Approved
0.593	Remote Similarity	NPD5779	Approved
0.593	Remote Similarity	NPD5778	Approved
0.5882	Remote Similarity	NPD3672	Approved
0.5882	Remote Similarity	NPD3673	Approved
0.5875	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.5875	Remote Similarity	NPD5209	Approved
0.5857	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.5854	Remote Similarity	NPD5363	Approved
0.5823	Remote Similarity	NPD4819	Approved
0.5823	Remote Similarity	NPD4821	Approved
0.5823	Remote Similarity	NPD4820	Approved
0.5823	Remote Similarity	NPD4822	Approved
0.5818	Remote Similarity	NPD5783	Phase 3
0.5818	Remote Similarity	NPD9655	Approved
0.5789	Remote Similarity	NPD387	Clinical (unspecified phase)
0.5783	Remote Similarity	NPD7146	Approved
0.5783	Remote Similarity	NPD6684	Approved
0.5783	Remote Similarity	NPD5330	Approved
0.5783	Remote Similarity	NPD7521	Approved
0.5783	Remote Similarity	NPD6409	Approved
0.5783	Remote Similarity	NPD6422	Discontinued
0.5783	Remote Similarity	NPD7334	Approved
0.5781	Remote Similarity	NPD3730	Approved
0.5781	Remote Similarity	NPD3728	Approved
0.5775	Remote Similarity	NPD3704	Approved
0.5769	Remote Similarity	NPD225	Approved
0.5769	Remote Similarity	NPD227	Approved
0.5765	Remote Similarity	NPD5346	Phase 2
0.5765	Remote Similarity	NPD5347	Phase 2
0.573	Remote Similarity	NPD7839	Suspended
0.5714	Remote Similarity	NPD4793	Discontinued
0.5698	Remote Similarity	NPD5785	Approved
0.5698	Remote Similarity	NPD5207	Approved
0.5652	Remote Similarity	NPD4194	Approved
0.5652	Remote Similarity	NPD4191	Approved
0.5652	Remote Similarity	NPD4193	Approved
0.5652	Remote Similarity	NPD4192	Approved
0.5647	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.5647	Remote Similarity	NPD6903	Approved
0.5647	Remote Similarity	NPD5737	Approved
0.5647	Remote Similarity	NPD6672	Approved
0.5634	Remote Similarity	NPD7341	Phase 2
0.5632	Remote Similarity	NPD5694	Approved
0.5632	Remote Similarity	NPD6050	Approved
0.561	Remote Similarity	NPD5332	Approved
0.561	Remote Similarity	NPD5331	Approved

Structure

External Identifiers

PubChem CID	5471014
ChEMBL	CHEMBL2004275
ZINC

Physicochemical Properties

Molecular Weight:	294.26
ALogP:	-1.0479
MLogP:	3.33
XLogP:	8.069
# Rotatable Bonds:	17
Polar Surface Area:	26.3
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	0
# Heavy Atoms:	21

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General Info & Identifiers & Properties
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