NPASS drugs

Drug Information

Drug ID:	NPD853
Drug Name:	Procarbazine
Molecular Formula:	C12H19N3O
Canonical SMILES:	CNNCc1ccc(cc1)C(=O)NC(C)C
Standard InCHI:	InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
Standard InCHIKey:	CPTBDICYNRMXFX-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD853

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	156
0.1-0.2	1903
0.2-0.3	8985
0.3-0.4	12664
0.4-0.5	5977
0.5-0.6	1025
0.6-0.7	168
0.7-0.8	12
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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
Intermediate Similarity	0.7674	NPC126458
Intermediate Similarity	0.7545	NPC291070
Intermediate Similarity	0.7545	NPC246757
Intermediate Similarity	0.7373	NPC55529
Intermediate Similarity	0.7368	NPC316104
Intermediate Similarity	0.7368	NPC162417
Intermediate Similarity	0.7364	NPC322433
Intermediate Similarity	0.7287	NPC79698
Intermediate Similarity	0.7236	NPC113099
Intermediate Similarity	0.7168	NPC256452
Intermediate Similarity	0.7	NPC17497
Intermediate Similarity	0.7	NPC305602
Remote Similarity	0.6963	NPC473962
Remote Similarity	0.6917	NPC473418
Remote Similarity	0.6917	NPC167336
Remote Similarity	0.6899	NPC27833
Remote Similarity	0.6855	NPC181390
Remote Similarity	0.6853	NPC313850
Remote Similarity	0.6842	NPC473661
Remote Similarity	0.6792	NPC12857
Remote Similarity	0.6783	NPC71140
Remote Similarity	0.6769	NPC279385
Remote Similarity	0.6769	NPC179605
Remote Similarity	0.6727	NPC169016
Remote Similarity	0.6721	NPC473498
Remote Similarity	0.6718	NPC103292
Remote Similarity	0.6694	NPC275467
Remote Similarity	0.669	NPC471164
Remote Similarity	0.6667	NPC172170
Remote Similarity	0.6639	NPC476198
Remote Similarity	0.6639	NPC67043
Remote Similarity	0.6638	NPC474974
Remote Similarity	0.6617	NPC254698
Remote Similarity	0.6614	NPC57051
Remote Similarity	0.6594	NPC40364
Remote Similarity	0.6565	NPC226143
Remote Similarity	0.6565	NPC177684
Remote Similarity	0.6565	NPC291962
Remote Similarity	0.6542	NPC325662
Remote Similarity	0.6542	NPC98269
Remote Similarity	0.6515	NPC112373
Remote Similarity	0.6515	NPC258531
Remote Similarity	0.6515	NPC161956
Remote Similarity	0.6484	NPC276949
Remote Similarity	0.6484	NPC35850
Remote Similarity	0.6475	NPC207428
Remote Similarity	0.6466	NPC71684
Remote Similarity	0.6462	NPC239357
Remote Similarity	0.646	NPC258046
Remote Similarity	0.6458	NPC2823
Remote Similarity	0.6455	NPC100039
Remote Similarity	0.6455	NPC145053
Remote Similarity	0.6452	NPC45033
Remote Similarity	0.6449	NPC139658
Remote Similarity	0.6449	NPC271642
Remote Similarity	0.6441	NPC329430
Remote Similarity	0.6434	NPC238412
Remote Similarity	0.6434	NPC33742
Remote Similarity	0.6423	NPC38262
Remote Similarity	0.6418	NPC268534
Remote Similarity	0.6417	NPC322598
Remote Similarity	0.6389	NPC290638
Remote Similarity	0.6387	NPC471320
Remote Similarity	0.6387	NPC471319
Remote Similarity	0.6385	NPC473573
Remote Similarity	0.6383	NPC266425
Remote Similarity	0.6377	NPC313722
Remote Similarity	0.6364	NPC122553
Remote Similarity	0.6356	NPC469330
Remote Similarity	0.6355	NPC98976
Remote Similarity	0.6343	NPC257490
Remote Similarity	0.6339	NPC197581
Remote Similarity	0.6339	NPC119677
Remote Similarity	0.6333	NPC10781
Remote Similarity	0.6333	NPC122493
Remote Similarity	0.6333	NPC293628
Remote Similarity	0.6331	NPC472245
Remote Similarity	0.633	NPC285470
Remote Similarity	0.633	NPC36342
Remote Similarity	0.633	NPC2785
Remote Similarity	0.6324	NPC22746
Remote Similarity	0.6324	NPC192533
Remote Similarity	0.632	NPC471447
Remote Similarity	0.6308	NPC246904
Remote Similarity	0.6303	NPC108339
Remote Similarity	0.6273	NPC300205
Remote Similarity	0.6268	NPC253476
Remote Similarity	0.6268	NPC474473
Remote Similarity	0.6262	NPC113000
Remote Similarity	0.6262	NPC112609
Remote Similarity	0.6262	NPC122327
Remote Similarity	0.6261	NPC69057
Remote Similarity	0.6259	NPC209389
Remote Similarity	0.625	NPC117032
Remote Similarity	0.6241	NPC220698
Remote Similarity	0.624	NPC143516
Remote Similarity	0.6239	NPC245966
Remote Similarity	0.6232	NPC119326
Remote Similarity	0.6228	NPC252067
Remote Similarity	0.6224	NPC173295
Remote Similarity	0.6216	NPC164086
Remote Similarity	0.6216	NPC190567
Remote Similarity	0.6214	NPC179224
Remote Similarity	0.6212	NPC285926
Remote Similarity	0.6212	NPC14672
Remote Similarity	0.6212	NPC315276
Remote Similarity	0.621	NPC202613
Remote Similarity	0.621	NPC164859
Remote Similarity	0.6204	NPC276699
Remote Similarity	0.6204	NPC222466
Remote Similarity	0.6198	NPC472258
Remote Similarity	0.6198	NPC324569
Remote Similarity	0.6195	NPC474088
Remote Similarity	0.6195	NPC149263
Remote Similarity	0.619	NPC474804
Remote Similarity	0.619	NPC472241
Remote Similarity	0.619	NPC474973
Remote Similarity	0.619	NPC327481
Remote Similarity	0.619	NPC130898
Remote Similarity	0.6187	NPC58827
Remote Similarity	0.6187	NPC72473
Remote Similarity	0.6187	NPC307437
Remote Similarity	0.6176	NPC39818
Remote Similarity	0.6174	NPC307
Remote Similarity	0.6174	NPC160339
Remote Similarity	0.6159	NPC472244
Remote Similarity	0.6159	NPC470343
Remote Similarity	0.6159	NPC101719
Remote Similarity	0.6154	NPC474584
Remote Similarity	0.6148	NPC200964
Remote Similarity	0.6143	NPC150863
Remote Similarity	0.6139	NPC138293
Remote Similarity	0.6139	NPC113056
Remote Similarity	0.6132	NPC219246
Remote Similarity	0.6129	NPC84317
Remote Similarity	0.6125	NPC66490
Remote Similarity	0.6124	NPC319579
Remote Similarity	0.6122	NPC43477
Remote Similarity	0.6121	NPC53492
Remote Similarity	0.6111	NPC300299
Remote Similarity	0.6102	NPC58872
Remote Similarity	0.6099	NPC280807
Remote Similarity	0.6099	NPC187231
Remote Similarity	0.6099	NPC314431
Remote Similarity	0.6096	NPC319645
Remote Similarity	0.6094	NPC473676
Remote Similarity	0.6091	NPC329318
Remote Similarity	0.608	NPC471317
Remote Similarity	0.6078	NPC314223
Remote Similarity	0.6077	NPC275410
Remote Similarity	0.6077	NPC329011
Remote Similarity	0.6071	NPC71664
Remote Similarity	0.6071	NPC285716
Remote Similarity	0.6071	NPC17408
Remote Similarity	0.6068	NPC153308
Remote Similarity	0.6067	NPC472242
Remote Similarity	0.6058	NPC26285
Remote Similarity	0.6054	NPC242933
Remote Similarity	0.6053	NPC39600
Remote Similarity	0.6053	NPC104070
Remote Similarity	0.6051	NPC154478
Remote Similarity	0.605	NPC470926
Remote Similarity	0.605	NPC133461
Remote Similarity	0.6048	NPC326792
Remote Similarity	0.6045	NPC470545
Remote Similarity	0.6038	NPC189116
Remote Similarity	0.6036	NPC76455
Remote Similarity	0.6036	NPC137847
Remote Similarity	0.6028	NPC111428
Remote Similarity	0.6027	NPC132636
Remote Similarity	0.6027	NPC287358
Remote Similarity	0.6018	NPC12936
Remote Similarity	0.6018	NPC273033
Remote Similarity	0.6015	NPC197470
Remote Similarity	0.6015	NPC101139
Remote Similarity	0.6013	NPC473329
Remote Similarity	0.6	NPC470546
Remote Similarity	0.6	NPC155232
Remote Similarity	0.6	NPC153885
Remote Similarity	0.6	NPC78500
Remote Similarity	0.5986	NPC194562
Remote Similarity	0.5986	NPC469560
Remote Similarity	0.5986	NPC83214
Remote Similarity	0.5983	NPC43945
Remote Similarity	0.5981	NPC229235
Remote Similarity	0.5971	NPC285394
Remote Similarity	0.597	NPC470544
Remote Similarity	0.5968	NPC75496
Remote Similarity	0.5968	NPC12730
Remote Similarity	0.5966	NPC277277
Remote Similarity	0.5966	NPC173413
Remote Similarity	0.5954	NPC475013
Remote Similarity	0.595	NPC238219
Remote Similarity	0.5946	NPC472243
Remote Similarity	0.5932	NPC157778
Remote Similarity	0.5931	NPC330326
Remote Similarity	0.5921	NPC259678
Remote Similarity	0.5921	NPC324445
Remote Similarity	0.5917	NPC284475
Remote Similarity	0.5915	NPC165726

Drug Structure

External Identifiers

TTD	DAP000986
DrugBank	DB01168
ChEMBL	CHEMBL1321
IUPHAR/BPS	7278
PharmaGKB	PA451112
KEGG Drug	D08423
PubChem CID	4915
ChEBI	71417
CAS Number	671-16-9

Drug Properties

Molecular Weight	221.15
ALogP	-1.3095
MLogP	2.34
XLogP	2.769
HDA	4
HBD	3
Rotatable Bonds	9
TPSA	53.16
RO5 Violation	0