NPASS drugs

Drug Information

Drug ID:	NPD551
Drug Name:	Phenmetrazine
Molecular Formula:	C11H15NO
Canonical SMILES:	CC1NCCOC1c1ccccc1
Standard InCHI:	InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
Standard InCHIKey:	OOBHFESNSZDWIU-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD551

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	100
0.1-0.2	742
0.2-0.3	4249
0.3-0.4	9005
0.4-0.5	11742
0.5-0.6	4445
0.6-0.7	562
0.7-0.8	32
0.8-0.85	8
0.85-0.9	4
0.9-0.95	0
0.95-1	1

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	NPC24777
High Similarity	0.8585	NPC147000
High Similarity	0.8585	NPC150254
High Similarity	0.8585	NPC226778
High Similarity	0.8585	NPC304761
Intermediate Similarity	0.8396	NPC327226
Intermediate Similarity	0.8131	NPC316797
Intermediate Similarity	0.8113	NPC164514
Intermediate Similarity	0.8113	NPC108606
Intermediate Similarity	0.8113	NPC226096
Intermediate Similarity	0.8113	NPC303611
Intermediate Similarity	0.8113	NPC290515
Intermediate Similarity	0.8053	NPC269340
Intermediate Similarity	0.7963	NPC214200
Intermediate Similarity	0.7963	NPC228400
Intermediate Similarity	0.783	NPC20142
Intermediate Similarity	0.783	NPC215351
Intermediate Similarity	0.7632	NPC97811
Intermediate Similarity	0.7607	NPC26524
Intermediate Similarity	0.7565	NPC65855
Intermediate Similarity	0.7565	NPC292758
Intermediate Similarity	0.752	NPC141739
Intermediate Similarity	0.752	NPC320242
Intermediate Similarity	0.752	NPC136112
Intermediate Similarity	0.7479	NPC213
Intermediate Similarity	0.7479	NPC10286
Intermediate Similarity	0.7436	NPC21890
Intermediate Similarity	0.7391	NPC186469
Intermediate Similarity	0.7368	NPC42383
Intermediate Similarity	0.736	NPC217277
Intermediate Similarity	0.736	NPC328267
Intermediate Similarity	0.7355	NPC137096
Intermediate Similarity	0.7339	NPC26285
Intermediate Similarity	0.7259	NPC204546
Intermediate Similarity	0.719	NPC101139
Intermediate Similarity	0.7177	NPC326232
Intermediate Similarity	0.7176	NPC97870
Intermediate Similarity	0.7176	NPC247018
Intermediate Similarity	0.7176	NPC307123
Intermediate Similarity	0.7103	NPC304760
Intermediate Similarity	0.7087	NPC165212
Intermediate Similarity	0.7087	NPC307020
Intermediate Similarity	0.7037	NPC318591
Intermediate Similarity	0.7037	NPC231163
Intermediate Similarity	0.7008	NPC298486
Remote Similarity	0.6975	NPC145638
Remote Similarity	0.6975	NPC290566
Remote Similarity	0.6931	NPC139658
Remote Similarity	0.6923	NPC67043
Remote Similarity	0.6923	NPC322366
Remote Similarity	0.6923	NPC211551
Remote Similarity	0.6912	NPC253429
Remote Similarity	0.6899	NPC474479
Remote Similarity	0.687	NPC40488
Remote Similarity	0.687	NPC469666
Remote Similarity	0.6866	NPC160692
Remote Similarity	0.6857	NPC106313
Remote Similarity	0.6846	NPC65310
Remote Similarity	0.6822	NPC58616
Remote Similarity	0.68	NPC120075
Remote Similarity	0.6797	NPC211992
Remote Similarity	0.6794	NPC323775
Remote Similarity	0.6794	NPC236347
Remote Similarity	0.6791	NPC208757
Remote Similarity	0.6783	NPC125732
Remote Similarity	0.6765	NPC478140
Remote Similarity	0.6759	NPC258046
Remote Similarity	0.6752	NPC68055
Remote Similarity	0.6748	NPC1986
Remote Similarity	0.6748	NPC474544
Remote Similarity	0.6742	NPC311753
Remote Similarity	0.6733	NPC112609
Remote Similarity	0.6733	NPC122327
Remote Similarity	0.6733	NPC113000
Remote Similarity	0.6726	NPC58674
Remote Similarity	0.6724	NPC289381
Remote Similarity	0.6724	NPC155847
Remote Similarity	0.6719	NPC316896
Remote Similarity	0.6715	NPC281104
Remote Similarity	0.6712	NPC206372
Remote Similarity	0.6712	NPC203424
Remote Similarity	0.6698	NPC329319
Remote Similarity	0.6698	NPC103326
Remote Similarity	0.6698	NPC87299
Remote Similarity	0.6698	NPC99394
Remote Similarity	0.6697	NPC89377
Remote Similarity	0.6694	NPC158854
Remote Similarity	0.6693	NPC14950
Remote Similarity	0.6692	NPC211218
Remote Similarity	0.6692	NPC255253
Remote Similarity	0.6692	NPC285394
Remote Similarity	0.6691	NPC83289
Remote Similarity	0.6691	NPC189724
Remote Similarity	0.6691	NPC212850
Remote Similarity	0.6667	NPC158900
Remote Similarity	0.6641	NPC321133
Remote Similarity	0.6641	NPC474847
Remote Similarity	0.6641	NPC476183
Remote Similarity	0.6639	NPC95977
Remote Similarity	0.662	NPC294249
Remote Similarity	0.6618	NPC325568
Remote Similarity	0.6614	NPC85276
Remote Similarity	0.6609	NPC325499
Remote Similarity	0.6604	NPC117180
Remote Similarity	0.6591	NPC124776
Remote Similarity	0.6589	NPC476184
Remote Similarity	0.6589	NPC476281
Remote Similarity	0.6579	NPC329430
Remote Similarity	0.6577	NPC173443
Remote Similarity	0.6577	NPC220893
Remote Similarity	0.6574	NPC304538
Remote Similarity	0.6574	NPC169016
Remote Similarity	0.6569	NPC470441
Remote Similarity	0.6562	NPC283760
Remote Similarity	0.6552	NPC313918
Remote Similarity	0.6552	NPC322598
Remote Similarity	0.6549	NPC265521
Remote Similarity	0.6547	NPC319645
Remote Similarity	0.6545	NPC211237
Remote Similarity	0.6544	NPC302171
Remote Similarity	0.6544	NPC33338
Remote Similarity	0.6544	NPC300020
Remote Similarity	0.6544	NPC149379
Remote Similarity	0.6538	NPC98269
Remote Similarity	0.6538	NPC169485
Remote Similarity	0.6538	NPC325662
Remote Similarity	0.6538	NPC291027
Remote Similarity	0.6538	NPC160493
Remote Similarity	0.6538	NPC290638
Remote Similarity	0.6538	NPC84281
Remote Similarity	0.6538	NPC317474
Remote Similarity	0.6538	NPC213126
Remote Similarity	0.6519	NPC262641
Remote Similarity	0.6515	NPC62101
Remote Similarity	0.6515	NPC95733
Remote Similarity	0.6512	NPC263835
Remote Similarity	0.6507	NPC207824
Remote Similarity	0.6507	NPC60538
Remote Similarity	0.6503	NPC247298
Remote Similarity	0.65	NPC476198
Remote Similarity	0.6496	NPC474473
Remote Similarity	0.6496	NPC472318
Remote Similarity	0.6496	NPC98911
Remote Similarity	0.6489	NPC476278
Remote Similarity	0.6484	NPC5932
Remote Similarity	0.6476	NPC12857
Remote Similarity	0.6475	NPC77992
Remote Similarity	0.6471	NPC326599
Remote Similarity	0.6471	NPC246079
Remote Similarity	0.6471	NPC329595
Remote Similarity	0.6471	NPC234305
Remote Similarity	0.6466	NPC122493
Remote Similarity	0.6466	NPC10781
Remote Similarity	0.6466	NPC29477
Remote Similarity	0.6466	NPC293628
Remote Similarity	0.6462	NPC318357
Remote Similarity	0.646	NPC226438
Remote Similarity	0.646	NPC119631
Remote Similarity	0.6457	NPC106551
Remote Similarity	0.6457	NPC188867
Remote Similarity	0.6457	NPC281686
Remote Similarity	0.6454	NPC168861
Remote Similarity	0.6444	NPC69496
Remote Similarity	0.6444	NPC471306
Remote Similarity	0.6444	NPC471321
Remote Similarity	0.6443	NPC233926
Remote Similarity	0.6439	NPC476260
Remote Similarity	0.6439	NPC140359
Remote Similarity	0.6439	NPC476241
Remote Similarity	0.6439	NPC13020
Remote Similarity	0.6436	NPC229235
Remote Similarity	0.6435	NPC5472
Remote Similarity	0.6435	NPC161972
Remote Similarity	0.6435	NPC303045
Remote Similarity	0.6434	NPC43275
Remote Similarity	0.6429	NPC118202
Remote Similarity	0.6423	NPC118419
Remote Similarity	0.6423	NPC233910
Remote Similarity	0.6423	NPC274732
Remote Similarity	0.6423	NPC245836
Remote Similarity	0.6419	NPC76213
Remote Similarity	0.6419	NPC277669
Remote Similarity	0.6417	NPC194390
Remote Similarity	0.6417	NPC113326
Remote Similarity	0.6417	NPC88267
Remote Similarity	0.6417	NPC85977
Remote Similarity	0.6417	NPC224610
Remote Similarity	0.6414	NPC245974
Remote Similarity	0.641	NPC475954
Remote Similarity	0.6408	NPC323204
Remote Similarity	0.6404	NPC321956
Remote Similarity	0.6397	NPC160193
Remote Similarity	0.6397	NPC135173
Remote Similarity	0.6396	NPC198747
Remote Similarity	0.6391	NPC476179
Remote Similarity	0.6391	NPC4974
Remote Similarity	0.6391	NPC476125
Remote Similarity	0.6387	NPC60373
Remote Similarity	0.6387	NPC154905
Remote Similarity	0.6385	NPC169207

Drug Structure

External Identifiers

TTD	DAP000860
DrugBank	DB00830
ChEMBL	CHEMBL1201208
IUPHAR/BPS
PharmaGKB	PA164747188
KEGG Drug
PubChem CID	4762
ChEBI	8067
CAS Number	134-49-6

Drug Properties

Molecular Weight	177.12
ALogP	-0.6008
MLogP	2.45
XLogP	2.829
HDA	2
HBD	1
Rotatable Bonds	2
TPSA	21.26
RO5 Violation	0