Drug Information

Drug ID:  NPD8955
Drug Name:  Dacarbazine
Molecular Formula:  C6H10N6O
Canonical SMILES:  CN(/N=N/c1[nH]cnc1C(=O)N)C
Standard InCHI:  InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+
Standard InCHIKey:  FDKXTQMXEQVLRF-ZHACJKMWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8955

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
High Similarity 0.9074 NPC148385
High Similarity 0.8919 NPC252603
High Similarity 0.8909 NPC278549
Intermediate Similarity 0.8304 NPC199790
Intermediate Similarity 0.8198 NPC47936
Intermediate Similarity 0.8174 NPC158847
Intermediate Similarity 0.8053 NPC256849
Intermediate Similarity 0.7909 NPC476099
Intermediate Similarity 0.7857 NPC75131
Intermediate Similarity 0.7586 NPC303899
Intermediate Similarity 0.7398 NPC109322
Intermediate Similarity 0.7339 NPC180493
Intermediate Similarity 0.7232 NPC293163
Intermediate Similarity 0.713 NPC476562
Intermediate Similarity 0.7091 NPC51000
Intermediate Similarity 0.7043 NPC59314
Intermediate Similarity 0.7 NPC41958
Remote Similarity 0.6983 NPC18335
Remote Similarity 0.6957 NPC476561
Remote Similarity 0.6833 NPC312187
Remote Similarity 0.6833 NPC4837
Remote Similarity 0.6794 NPC246193
Remote Similarity 0.6726 NPC9639
Remote Similarity 0.6667 NPC313547
Remote Similarity 0.6594 NPC226184
Remote Similarity 0.6594 NPC76544
Remote Similarity 0.6594 NPC167285
Remote Similarity 0.6552 NPC321052
Remote Similarity 0.6532 NPC327613
Remote Similarity 0.65 NPC155498
Remote Similarity 0.6471 NPC111132
Remote Similarity 0.6441 NPC174114
Remote Similarity 0.6441 NPC87981
Remote Similarity 0.6378 NPC68938
Remote Similarity 0.6378 NPC189314
Remote Similarity 0.6364 NPC119133
Remote Similarity 0.6324 NPC57279
Remote Similarity 0.6301 NPC326694
Remote Similarity 0.6222 NPC14330
Remote Similarity 0.6186 NPC320256
Remote Similarity 0.6176 NPC287876
Remote Similarity 0.6165 NPC15566
Remote Similarity 0.6148 NPC476564
Remote Similarity 0.6074 NPC144223
Remote Similarity 0.6066 NPC10466
Remote Similarity 0.6033 NPC326248
Remote Similarity 0.6033 NPC187191
Remote Similarity 0.6014 NPC25465
Remote Similarity 0.5942 NPC243319
Remote Similarity 0.5915 NPC237812
Remote Similarity 0.5915 NPC18223
Remote Similarity 0.5909 NPC327579
Remote Similarity 0.5903 NPC286696
Remote Similarity 0.5903 NPC185903
Remote Similarity 0.5899 NPC235501
Remote Similarity 0.5839 NPC180462
Remote Similarity 0.5827 NPC104011
Remote Similarity 0.5705 NPC327477
Remote Similarity 0.5625 NPC320818
Remote Similarity 0.5613 NPC60537
Remote Similarity 0.56 NPC197068
Remote Similarity 0.56 NPC273327

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  182.09
ALogP  -0.9411
MLogP  1.35
XLogP  -1.463
HDA  7
HBD  2
Rotatable Bonds  6
TPSA  99.73
RO5 Violation  0