Drug Information

Drug ID:  NPD851
Drug Name:  Procarbazine Hydrochloride
Molecular Formula:  C12H19N3O.ClH
Canonical SMILES:  CNNCc1ccc(cc1)C(=O)NC(C)C.Cl
Standard InCHI:  InChI=1S/C12H19N3O.ClH/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);1H
Standard InCHIKey:  DERJYEZSLHIUKF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD851

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.


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

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