NPASS drugs

Drug Information

Drug ID:	NPD9612
Drug Name:	Phenylpropanolamine
Molecular Formula:	C9H13NO
Canonical SMILES:	O[C@@H](c1ccccc1)[C@H](N)C
Standard InCHI:	InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1
Standard InCHIKey:	DLNKOYKMWOXYQA-VXNVDRBHSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; DrugBank

Structural Similarity Between NPASS Natural Products and NPD9612

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	67
0.1-0.2	521
0.2-0.3	2983
0.3-0.4	9943
0.4-0.5	11487
0.5-0.6	4758
0.6-0.7	970
0.7-0.8	131
0.8-0.85	16
0.85-0.9	2
0.9-0.95	5
0.95-1	7

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	NPC108606
High Similarity	1.0	NPC164514
High Similarity	1.0	NPC303611
High Similarity	1.0	NPC226096
High Similarity	1.0	NPC290515
High Similarity	0.967	NPC20142
High Similarity	0.967	NPC215351
High Similarity	0.9479	NPC226778
High Similarity	0.9479	NPC147000
High Similarity	0.9479	NPC304761
High Similarity	0.9479	NPC150254
High Similarity	0.9271	NPC327226
High Similarity	0.8969	NPC214200
High Similarity	0.8969	NPC228400
Intermediate Similarity	0.8462	NPC290566
Intermediate Similarity	0.8462	NPC145638
Intermediate Similarity	0.8352	NPC87299
Intermediate Similarity	0.8352	NPC99394
Intermediate Similarity	0.8352	NPC103326
Intermediate Similarity	0.8352	NPC329319
Intermediate Similarity	0.8242	NPC117180
Intermediate Similarity	0.8172	NPC304538
Intermediate Similarity	0.8165	NPC213
Intermediate Similarity	0.8165	NPC10286
Intermediate Similarity	0.8119	NPC125732
Intermediate Similarity	0.8113	NPC24777
Intermediate Similarity	0.8105	NPC211237
Intermediate Similarity	0.8077	NPC211551
Intermediate Similarity	0.8058	NPC68055
Intermediate Similarity	0.8018	NPC137096
Intermediate Similarity	0.7944	NPC65855
Intermediate Similarity	0.7944	NPC292758
Intermediate Similarity	0.7879	NPC265521
Intermediate Similarity	0.7872	NPC172984
Intermediate Similarity	0.7802	NPC66655
Intermediate Similarity	0.7685	NPC97811
Intermediate Similarity	0.766	NPC133050
Intermediate Similarity	0.7652	NPC118522
Intermediate Similarity	0.7652	NPC169207
Intermediate Similarity	0.7652	NPC115627
Intermediate Similarity	0.7629	NPC93843
Intermediate Similarity	0.7611	NPC106551
Intermediate Similarity	0.7611	NPC281686
Intermediate Similarity	0.7611	NPC188867
Intermediate Similarity	0.7576	NPC1793
Intermediate Similarity	0.7573	NPC293628
Intermediate Similarity	0.7573	NPC10781
Intermediate Similarity	0.7573	NPC122493
Intermediate Similarity	0.7565	NPC283760
Intermediate Similarity	0.7551	NPC198747
Intermediate Similarity	0.7549	NPC58674
Intermediate Similarity	0.7524	NPC289381
Intermediate Similarity	0.7524	NPC29601
Intermediate Similarity	0.7524	NPC155847
Intermediate Similarity	0.7522	NPC101139
Intermediate Similarity	0.75	NPC474544
Intermediate Similarity	0.75	NPC1986
Intermediate Similarity	0.75	NPC146703
Intermediate Similarity	0.75	NPC26524
Intermediate Similarity	0.7477	NPC88267
Intermediate Similarity	0.7477	NPC21890
Intermediate Similarity	0.7477	NPC194390
Intermediate Similarity	0.7477	NPC224610
Intermediate Similarity	0.7477	NPC113326
Intermediate Similarity	0.7473	NPC113000
Intermediate Similarity	0.7473	NPC112609
Intermediate Similarity	0.7473	NPC108218
Intermediate Similarity	0.7473	NPC122327
Intermediate Similarity	0.7451	NPC325292
Intermediate Similarity	0.7451	NPC138117
Intermediate Similarity	0.7431	NPC186469
Intermediate Similarity	0.7423	NPC168855
Intermediate Similarity	0.7414	NPC239697
Intermediate Similarity	0.7411	NPC146422
Intermediate Similarity	0.7407	NPC42383
Intermediate Similarity	0.7404	NPC324569
Intermediate Similarity	0.7396	NPC475199
Intermediate Similarity	0.7396	NPC283012
Intermediate Similarity	0.7383	NPC178902
Intermediate Similarity	0.7368	NPC192623
Intermediate Similarity	0.7355	NPC236347
Intermediate Similarity	0.7355	NPC322366
Intermediate Similarity	0.7355	NPC323775
Intermediate Similarity	0.735	NPC326232
Intermediate Similarity	0.7347	NPC474354
Intermediate Similarity	0.734	NPC224544
Intermediate Similarity	0.7328	NPC317784
Intermediate Similarity	0.7328	NPC142638
Intermediate Similarity	0.7321	NPC269340
Intermediate Similarity	0.7308	NPC313650
Intermediate Similarity	0.7304	NPC2265
Intermediate Similarity	0.7281	NPC118202
Intermediate Similarity	0.7273	NPC474211
Intermediate Similarity	0.7255	NPC226438
Intermediate Similarity	0.7255	NPC79917
Intermediate Similarity	0.7255	NPC300017
Intermediate Similarity	0.7253	NPC208302
Intermediate Similarity	0.725	NPC307020
Intermediate Similarity	0.7248	NPC67043
Intermediate Similarity	0.7234	NPC98269
Intermediate Similarity	0.7234	NPC290638
Intermediate Similarity	0.7234	NPC325662
Intermediate Similarity	0.7228	NPC199567
Intermediate Similarity	0.7227	NPC474862
Intermediate Similarity	0.7217	NPC317254
Intermediate Similarity	0.7212	NPC303045
Intermediate Similarity	0.7212	NPC161972
Intermediate Similarity	0.7204	NPC189371
Intermediate Similarity	0.72	NPC208757
Intermediate Similarity	0.7196	NPC316797
Intermediate Similarity	0.7193	NPC59387
Intermediate Similarity	0.719	NPC474479
Intermediate Similarity	0.7188	NPC328178
Intermediate Similarity	0.7182	NPC231705
Intermediate Similarity	0.7182	NPC327481
Intermediate Similarity	0.7179	NPC85276
Intermediate Similarity	0.7179	NPC314992
Intermediate Similarity	0.7172	NPC99482
Intermediate Similarity	0.717	NPC474073
Intermediate Similarity	0.717	NPC107619
Intermediate Similarity	0.7157	NPC316108
Intermediate Similarity	0.7143	NPC21959
Intermediate Similarity	0.7143	NPC229235
Intermediate Similarity	0.7143	NPC3371
Intermediate Similarity	0.7143	NPC258056
Intermediate Similarity	0.7143	NPC326079
Intermediate Similarity	0.7143	NPC25565
Intermediate Similarity	0.713	NPC318154
Intermediate Similarity	0.7129	NPC23167
Intermediate Similarity	0.7129	NPC407
Intermediate Similarity	0.7129	NPC307235
Intermediate Similarity	0.712	NPC329595
Intermediate Similarity	0.712	NPC326599
Intermediate Similarity	0.7117	NPC142297
Intermediate Similarity	0.7083	NPC27581
Intermediate Similarity	0.7083	NPC469894
Intermediate Similarity	0.708	NPC474149
Intermediate Similarity	0.7075	NPC33168
Intermediate Similarity	0.7075	NPC475439
Intermediate Similarity	0.7075	NPC473501
Intermediate Similarity	0.7064	NPC164859
Intermediate Similarity	0.7059	NPC190663
Intermediate Similarity	0.7059	NPC25493
Intermediate Similarity	0.7059	NPC27974
Intermediate Similarity	0.7059	NPC113460
Intermediate Similarity	0.7059	NPC104216
Intermediate Similarity	0.7059	NPC470877
Intermediate Similarity	0.7054	NPC153690
Intermediate Similarity	0.7037	NPC469481
Intermediate Similarity	0.703	NPC197783
Intermediate Similarity	0.703	NPC155393
Intermediate Similarity	0.7021	NPC276699
Intermediate Similarity	0.7019	NPC128645
Intermediate Similarity	0.7016	NPC469666
Intermediate Similarity	0.701	NPC164449
Intermediate Similarity	0.701	NPC309279
Intermediate Similarity	0.701	NPC184030
Intermediate Similarity	0.7009	NPC160548
Intermediate Similarity	0.7009	NPC82963
Intermediate Similarity	0.7009	NPC210529
Intermediate Similarity	0.7009	NPC175852
Remote Similarity	0.6992	NPC141739
Remote Similarity	0.6992	NPC320242
Remote Similarity	0.6992	NPC136112
Remote Similarity	0.6991	NPC172046
Remote Similarity	0.699	NPC209764
Remote Similarity	0.699	NPC159178
Remote Similarity	0.699	NPC258219
Remote Similarity	0.699	NPC78041
Remote Similarity	0.699	NPC74936
Remote Similarity	0.699	NPC177420
Remote Similarity	0.699	NPC242240
Remote Similarity	0.699	NPC123273
Remote Similarity	0.699	NPC471307
Remote Similarity	0.699	NPC141139
Remote Similarity	0.699	NPC280347
Remote Similarity	0.699	NPC318325
Remote Similarity	0.699	NPC121872
Remote Similarity	0.6983	NPC115803
Remote Similarity	0.6975	NPC319950
Remote Similarity	0.6967	NPC285394
Remote Similarity	0.6967	NPC140359
Remote Similarity	0.6967	NPC13020
Remote Similarity	0.6964	NPC37584
Remote Similarity	0.6961	NPC304760
Remote Similarity	0.6949	NPC311737
Remote Similarity	0.6949	NPC38458
Remote Similarity	0.6947	NPC139658
Remote Similarity	0.6947	NPC168861
Remote Similarity	0.6944	NPC132078
Remote Similarity	0.6944	NPC78119
Remote Similarity	0.6944	NPC12730
Remote Similarity	0.6944	NPC128723
Remote Similarity	0.6944	NPC216468
Remote Similarity	0.6944	NPC51333
Remote Similarity	0.6942	NPC160493
Remote Similarity	0.6931	NPC248817
Remote Similarity	0.6931	NPC175313
Remote Similarity	0.6931	NPC286904
Remote Similarity	0.6929	NPC88667

Drug Structure

External Identifiers

TTD	DNC001144; DAP000899; DNC000815
DrugBank	DB00397
ChEMBL	CHEMBL2092846
IUPHAR/BPS
PharmaGKB	PA164748965
KEGG Drug
PubChem CID	26934
ChEBI	36
CAS Number	14838-15-4

Drug Properties

Molecular Weight	151.10
ALogP	-1.2597
MLogP	2.23
XLogP	2.13
HDA	2
HBD	2
Rotatable Bonds	5
TPSA	46.25
RO5 Violation	0