NPASS drugs

Drug Information

Drug ID:	NPD367
Drug Name:	Eucalyptol
Molecular Formula:	C10H18O
Canonical SMILES:	CC12CCC(CC1)C(O2)(C)C
Standard InCHI:	InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
Standard InCHIKey:	WEEGYLXZBRQIMU-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD367

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.

Range	Similarity Score Range
0-0.1	206
0.1-0.2	4158
0.2-0.3	15143
0.3-0.4	7311
0.4-0.5	3581
0.5-0.6	441
0.6-0.7	44
0.7-0.8	4
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC287331
High Similarity	1.0	NPC302939
Intermediate Similarity	0.7955	NPC82843
Intermediate Similarity	0.7447	NPC77550
Intermediate Similarity	0.7447	NPC108441
Intermediate Similarity	0.7	NPC316035
Remote Similarity	0.6977	NPC328441
Remote Similarity	0.6964	NPC185116
Remote Similarity	0.6852	NPC300189
Remote Similarity	0.6731	NPC274261
Remote Similarity	0.6731	NPC291724
Remote Similarity	0.6727	NPC170780
Remote Similarity	0.6667	NPC144891
Remote Similarity	0.6667	NPC308569
Remote Similarity	0.6667	NPC469572
Remote Similarity	0.6667	NPC469582
Remote Similarity	0.66	NPC84030
Remote Similarity	0.66	NPC287550
Remote Similarity	0.66	NPC198540
Remote Similarity	0.66	NPC223468
Remote Similarity	0.66	NPC176309
Remote Similarity	0.66	NPC14552
Remote Similarity	0.66	NPC147343
Remote Similarity	0.6531	NPC313795
Remote Similarity	0.6481	NPC36002
Remote Similarity	0.6481	NPC102336
Remote Similarity	0.6441	NPC469573
Remote Similarity	0.6429	NPC210316
Remote Similarity	0.6364	NPC202146
Remote Similarity	0.6364	NPC32222
Remote Similarity	0.6346	NPC294858
Remote Similarity	0.6316	NPC236588
Remote Similarity	0.6316	NPC135438
Remote Similarity	0.629	NPC42630
Remote Similarity	0.6207	NPC47663
Remote Similarity	0.6154	NPC100445
Remote Similarity	0.6154	NPC13105
Remote Similarity	0.614	NPC264779
Remote Similarity	0.614	NPC3025
Remote Similarity	0.614	NPC179024
Remote Similarity	0.6102	NPC95958
Remote Similarity	0.6094	NPC139785
Remote Similarity	0.6087	NPC177022
Remote Similarity	0.6071	NPC53209
Remote Similarity	0.6038	NPC95969
Remote Similarity	0.6038	NPC127997
Remote Similarity	0.6032	NPC84562
Remote Similarity	0.6	NPC84218
Remote Similarity	0.6	NPC475412
Remote Similarity	0.6	NPC204173
Remote Similarity	0.5965	NPC471269
Remote Similarity	0.5938	NPC476928
Remote Similarity	0.5932	NPC189290
Remote Similarity	0.5932	NPC132998
Remote Similarity	0.5932	NPC162685
Remote Similarity	0.5932	NPC474769
Remote Similarity	0.5909	NPC51956
Remote Similarity	0.5909	NPC5209
Remote Similarity	0.5909	NPC29005
Remote Similarity	0.5909	NPC282454
Remote Similarity	0.5902	NPC282694
Remote Similarity	0.5902	NPC79576
Remote Similarity	0.5902	NPC194208
Remote Similarity	0.5873	NPC474768
Remote Similarity	0.5862	NPC39068
Remote Similarity	0.5849	NPC314087
Remote Similarity	0.5833	NPC221022
Remote Similarity	0.5821	NPC100586
Remote Similarity	0.5821	NPC8004
Remote Similarity	0.5821	NPC109457
Remote Similarity	0.5821	NPC157777
Remote Similarity	0.5821	NPC157422
Remote Similarity	0.5821	NPC127283
Remote Similarity	0.5821	NPC131506
Remote Similarity	0.5821	NPC473279
Remote Similarity	0.5818	NPC474331
Remote Similarity	0.5789	NPC168518
Remote Similarity	0.5789	NPC105780
Remote Similarity	0.5763	NPC7491
Remote Similarity	0.5763	NPC27853
Remote Similarity	0.5763	NPC13789
Remote Similarity	0.5763	NPC101285
Remote Similarity	0.5763	NPC65786
Remote Similarity	0.5741	NPC224987
Remote Similarity	0.5738	NPC478126
Remote Similarity	0.5735	NPC123122
Remote Similarity	0.5714	NPC160261
Remote Similarity	0.5714	NPC215118
Remote Similarity	0.5714	NPC94897
Remote Similarity	0.5714	NPC135077
Remote Similarity	0.5714	NPC469759
Remote Similarity	0.5714	NPC181255
Remote Similarity	0.5714	NPC59570
Remote Similarity	0.5714	NPC179169
Remote Similarity	0.5714	NPC306195
Remote Similarity	0.5714	NPC157781
Remote Similarity	0.5714	NPC45270
Remote Similarity	0.5714	NPC35519
Remote Similarity	0.5692	NPC41542
Remote Similarity	0.5667	NPC475515
Remote Similarity	0.5667	NPC240206
Remote Similarity	0.5667	NPC215671
Remote Similarity	0.5667	NPC87296
Remote Similarity	0.5652	NPC209666
Remote Similarity	0.5652	NPC477508
Remote Similarity	0.5652	NPC31046
Remote Similarity	0.5652	NPC53868
Remote Similarity	0.5652	NPC166250
Remote Similarity	0.5652	NPC200167
Remote Similarity	0.5645	NPC218585
Remote Similarity	0.5645	NPC95804
Remote Similarity	0.5645	NPC148174
Remote Similarity	0.5645	NPC71460
Remote Similarity	0.5645	NPC306750
Remote Similarity	0.5645	NPC185547
Remote Similarity	0.5636	NPC131623
Remote Similarity	0.5625	NPC316546
Remote Similarity	0.5625	NPC260116
Remote Similarity	0.5625	NPC80463
Remote Similarity	0.5625	NPC64123
Remote Similarity	0.5625	NPC19311
Remote Similarity	0.5625	NPC230047
Remote Similarity	0.5614	NPC192962
Remote Similarity	0.5614	NPC161473
Remote Similarity	0.5606	NPC475786

Drug Structure

External Identifiers

TTD
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	154.14
ALogP	1.3109
MLogP	2.45
XLogP	2.595
HDA	1
HBD	0
Rotatable Bonds	3
TPSA	9.23
RO5 Violation	0