NPASS drugs

Drug Information

Drug ID:	NPD295
Drug Name:	methamphetamine
Molecular Formula:	C10H15N
Canonical SMILES:	CNC(Cc1ccccc1)C
Standard InCHI:	InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
Standard InCHIKey:	MYWUZJCMWCOHBA-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD295

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	222
0.1-0.2	2778
0.2-0.3	10521
0.3-0.4	12570
0.4-0.5	3689
0.5-0.6	825
0.6-0.7	213
0.7-0.8	53
0.8-0.85	8
0.85-0.9	3
0.9-0.95	7
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	0.9722	NPC139658
High Similarity	0.9444	NPC112609
High Similarity	0.9444	NPC113000
High Similarity	0.9444	NPC122327
High Similarity	0.9067	NPC98269
High Similarity	0.9067	NPC290638
High Similarity	0.9067	NPC325662
High Similarity	0.9028	NPC229235
High Similarity	0.8947	NPC12857
High Similarity	0.88	NPC276699
High Similarity	0.8519	NPC169016
Intermediate Similarity	0.8313	NPC258046
Intermediate Similarity	0.8312	NPC98976
Intermediate Similarity	0.8267	NPC219246
Intermediate Similarity	0.8205	NPC271642
Intermediate Similarity	0.8171	NPC119677
Intermediate Similarity	0.8148	NPC231986
Intermediate Similarity	0.8072	NPC133162
Intermediate Similarity	0.8052	NPC244738
Intermediate Similarity	0.7978	NPC329430
Intermediate Similarity	0.7738	NPC104070
Intermediate Similarity	0.7738	NPC474088
Intermediate Similarity	0.7667	NPC469330
Intermediate Similarity	0.7667	NPC7067
Intermediate Similarity	0.75	NPC304761
Intermediate Similarity	0.75	NPC299134
Intermediate Similarity	0.75	NPC226778
Intermediate Similarity	0.75	NPC300345
Intermediate Similarity	0.75	NPC150254
Intermediate Similarity	0.75	NPC120441
Intermediate Similarity	0.75	NPC471320
Intermediate Similarity	0.75	NPC147000
Intermediate Similarity	0.75	NPC212114
Intermediate Similarity	0.75	NPC471319
Intermediate Similarity	0.75	NPC65873
Intermediate Similarity	0.7473	NPC246757
Intermediate Similarity	0.7473	NPC291070
Intermediate Similarity	0.7444	NPC470926
Intermediate Similarity	0.7423	NPC67043
Intermediate Similarity	0.7361	NPC269586
Intermediate Similarity	0.7361	NPC198841
Intermediate Similarity	0.7292	NPC327226
Intermediate Similarity	0.7237	NPC50266
Intermediate Similarity	0.7222	NPC277704
Intermediate Similarity	0.7222	NPC149436
Intermediate Similarity	0.7204	NPC108339
Intermediate Similarity	0.72	NPC248705
Intermediate Similarity	0.72	NPC310758
Intermediate Similarity	0.72	NPC238023
Intermediate Similarity	0.72	NPC135924
Intermediate Similarity	0.72	NPC150196
Intermediate Similarity	0.72	NPC210849
Intermediate Similarity	0.72	NPC54368
Intermediate Similarity	0.7191	NPC60408
Intermediate Similarity	0.7162	NPC8235
Intermediate Similarity	0.7158	NPC226096
Intermediate Similarity	0.7158	NPC164514
Intermediate Similarity	0.7158	NPC108606
Intermediate Similarity	0.7158	NPC290515
Intermediate Similarity	0.7158	NPC303611
Intermediate Similarity	0.7129	NPC24777
Intermediate Similarity	0.7111	NPC30445
Intermediate Similarity	0.7105	NPC29680
Intermediate Similarity	0.7097	NPC322040
Intermediate Similarity	0.7067	NPC169110
Intermediate Similarity	0.7067	NPC147062
Intermediate Similarity	0.7053	NPC122493
Intermediate Similarity	0.7053	NPC293628
Intermediate Similarity	0.7053	NPC10781
Intermediate Similarity	0.7013	NPC88566
Intermediate Similarity	0.7	NPC200936
Intermediate Similarity	0.7	NPC473031
Remote Similarity	0.6989	NPC473661
Remote Similarity	0.6979	NPC322598
Remote Similarity	0.6977	NPC475289
Remote Similarity	0.6977	NPC475573
Remote Similarity	0.6974	NPC246588
Remote Similarity	0.697	NPC275467
Remote Similarity	0.6957	NPC316108
Remote Similarity	0.6933	NPC64270
Remote Similarity	0.6933	NPC36357
Remote Similarity	0.6933	NPC114327
Remote Similarity	0.6932	NPC134825
Remote Similarity	0.6923	NPC198023
Remote Similarity	0.6923	NPC155172
Remote Similarity	0.6923	NPC12429
Remote Similarity	0.6923	NPC32312
Remote Similarity	0.6923	NPC111233
Remote Similarity	0.6889	NPC203076
Remote Similarity	0.6883	NPC22786
Remote Similarity	0.6883	NPC71009
Remote Similarity	0.6883	NPC66517
Remote Similarity	0.6882	NPC226438
Remote Similarity	0.6875	NPC324569
Remote Similarity	0.6863	NPC77294
Remote Similarity	0.6848	NPC470877
Remote Similarity	0.6848	NPC176858
Remote Similarity	0.6842	NPC20142
Remote Similarity	0.6842	NPC215351
Remote Similarity	0.6842	NPC303045
Remote Similarity	0.6842	NPC161972
Remote Similarity	0.6837	NPC228400
Remote Similarity	0.6837	NPC214200
Remote Similarity	0.6835	NPC178527
Remote Similarity	0.6832	NPC327481
Remote Similarity	0.6818	NPC14326
Remote Similarity	0.6813	NPC262295
Remote Similarity	0.6813	NPC17497
Remote Similarity	0.6813	NPC305602
Remote Similarity	0.6813	NPC471638
Remote Similarity	0.6795	NPC45756
Remote Similarity	0.6795	NPC113670
Remote Similarity	0.6795	NPC21211
Remote Similarity	0.6792	NPC113099
Remote Similarity	0.6774	NPC74936
Remote Similarity	0.6774	NPC159178
Remote Similarity	0.6774	NPC191444
Remote Similarity	0.6774	NPC121872
Remote Similarity	0.6774	NPC78041
Remote Similarity	0.6774	NPC471307
Remote Similarity	0.6774	NPC209764
Remote Similarity	0.6774	NPC141139
Remote Similarity	0.6771	NPC25565
Remote Similarity	0.6768	NPC239854
Remote Similarity	0.675	NPC6107
Remote Similarity	0.675	NPC267443
Remote Similarity	0.6737	NPC71140
Remote Similarity	0.6709	NPC291066
Remote Similarity	0.6706	NPC110264
Remote Similarity	0.6702	NPC245259
Remote Similarity	0.6701	NPC475439
Remote Similarity	0.6701	NPC473501
Remote Similarity	0.67	NPC164859
Remote Similarity	0.6667	NPC200745
Remote Similarity	0.6667	NPC474582
Remote Similarity	0.6667	NPC275410
Remote Similarity	0.6667	NPC173991
Remote Similarity	0.6632	NPC108800
Remote Similarity	0.6627	NPC121708
Remote Similarity	0.6627	NPC125144
Remote Similarity	0.6625	NPC113837
Remote Similarity	0.6625	NPC289915
Remote Similarity	0.66	NPC291610
Remote Similarity	0.6593	NPC3210
Remote Similarity	0.6591	NPC192623
Remote Similarity	0.6585	NPC139416
Remote Similarity	0.6585	NPC246822
Remote Similarity	0.6585	NPC213570
Remote Similarity	0.6574	NPC101139
Remote Similarity	0.6569	NPC474695
Remote Similarity	0.6569	NPC473418
Remote Similarity	0.6569	NPC476198
Remote Similarity	0.6566	NPC12730
Remote Similarity	0.6566	NPC125732
Remote Similarity	0.6562	NPC471309
Remote Similarity	0.6545	NPC320656
Remote Similarity	0.6543	NPC52330
Remote Similarity	0.6538	NPC97811
Remote Similarity	0.6538	NPC45255
Remote Similarity	0.6531	NPC311242
Remote Similarity	0.6531	NPC472258
Remote Similarity	0.6514	NPC313673
Remote Similarity	0.6512	NPC35599
Remote Similarity	0.6505	NPC473498
Remote Similarity	0.65	NPC155847
Remote Similarity	0.65	NPC289381
Remote Similarity	0.6495	NPC256452
Remote Similarity	0.6495	NPC58674
Remote Similarity	0.6471	NPC469974
Remote Similarity	0.6463	NPC311343
Remote Similarity	0.6452	NPC53492
Remote Similarity	0.6449	NPC474584
Remote Similarity	0.6429	NPC158028
Remote Similarity	0.6429	NPC74458
Remote Similarity	0.6429	NPC193578
Remote Similarity	0.6429	NPC135433
Remote Similarity	0.6429	NPC226999
Remote Similarity	0.6429	NPC1008
Remote Similarity	0.6429	NPC87099
Remote Similarity	0.6429	NPC39799
Remote Similarity	0.6429	NPC280135
Remote Similarity	0.6422	NPC10286
Remote Similarity	0.6422	NPC213
Remote Similarity	0.6421	NPC78154
Remote Similarity	0.642	NPC36440
Remote Similarity	0.6415	NPC319579
Remote Similarity	0.641	NPC147578
Remote Similarity	0.6408	NPC42383
Remote Similarity	0.6408	NPC167336
Remote Similarity	0.6404	NPC309279
Remote Similarity	0.6392	NPC474974
Remote Similarity	0.6386	NPC473206
Remote Similarity	0.6386	NPC98880
Remote Similarity	0.6373	NPC68055
Remote Similarity	0.6372	NPC71684
Remote Similarity	0.6355	NPC329011
Remote Similarity	0.6355	NPC21890
Remote Similarity	0.6353	NPC212463
Remote Similarity	0.6353	NPC285679
Remote Similarity	0.6353	NPC54269

Drug Structure

External Identifiers

TTD
DrugBank
ChEMBL
IUPHAR/BPS	4803
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	149.12
ALogP	-0.2548
MLogP	2.45
XLogP	3.972
HDA	1
HBD	1
Rotatable Bonds	5
TPSA	12.03
RO5 Violation	0