Drug Information

Drug ID:  NPD9627
Drug Name:  Polaprezinc
Molecular Formula:  C9H14N4O3.Zn
Canonical SMILES:  NCCC(=O)[N-][C@H](C(=O)[O-])Cc1[nH]cnc1.[Zn+2]
Standard InCHI:  InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1
Standard InCHIKey:  IGXZLYMCFZHNKW-FJXQXJEOSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9627

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 0.9118 NPC286696
High Similarity 0.9118 NPC185903
High Similarity 0.9037 NPC18223
High Similarity 0.9037 NPC237812
High Similarity 0.8794 NPC327477
High Similarity 0.8699 NPC60537
High Similarity 0.8667 NPC25465
High Similarity 0.8667 NPC235501
High Similarity 0.85 NPC210947
Intermediate Similarity 0.8478 NPC126634
Intermediate Similarity 0.8028 NPC470140
Intermediate Similarity 0.8 NPC470138
Intermediate Similarity 0.7971 NPC180462
Intermediate Similarity 0.7959 NPC174020
Intermediate Similarity 0.7862 NPC470139
Intermediate Similarity 0.7698 NPC15566
Intermediate Similarity 0.7353 NPC327613
Intermediate Similarity 0.7197 NPC111132
Intermediate Similarity 0.709 NPC155498
Intermediate Similarity 0.702 NPC470141
Remote Similarity 0.6875 NPC470142
Remote Similarity 0.6685 NPC313504
Remote Similarity 0.6667 NPC187191
Remote Similarity 0.6667 NPC326248
Remote Similarity 0.6541 NPC9639
Remote Similarity 0.6503 NPC201900
Remote Similarity 0.646 NPC197068
Remote Similarity 0.6447 NPC238945
Remote Similarity 0.6405 NPC243319
Remote Similarity 0.6354 NPC477118
Remote Similarity 0.6324 NPC323244
Remote Similarity 0.6319 NPC477120
Remote Similarity 0.6292 NPC477119
Remote Similarity 0.628 NPC328924
Remote Similarity 0.6259 NPC273327
Remote Similarity 0.6183 NPC210123
Remote Similarity 0.6174 NPC252603
Remote Similarity 0.6131 NPC282531
Remote Similarity 0.6111 NPC477419
Remote Similarity 0.6111 NPC477417
Remote Similarity 0.6106 NPC69843
Remote Similarity 0.6105 NPC124276
Remote Similarity 0.6078 NPC180493
Remote Similarity 0.6044 NPC314281
Remote Similarity 0.6044 NPC40530
Remote Similarity 0.604 NPC278549
Remote Similarity 0.603 NPC54981
Remote Similarity 0.6014 NPC148385
Remote Similarity 0.5987 NPC246193
Remote Similarity 0.5978 NPC54214
Remote Similarity 0.5976 NPC74306
Remote Similarity 0.5976 NPC315642
Remote Similarity 0.597 NPC282247
Remote Similarity 0.5941 NPC321052
Remote Similarity 0.5911 NPC147983
Remote Similarity 0.5911 NPC177996
Remote Similarity 0.5897 NPC144223
Remote Similarity 0.5888 NPC473376
Remote Similarity 0.5879 NPC8590
Remote Similarity 0.5879 NPC476524
Remote Similarity 0.5879 NPC476525
Remote Similarity 0.5879 NPC71238
Remote Similarity 0.5839 NPC313547
Remote Similarity 0.5833 NPC476099
Remote Similarity 0.5819 NPC472790
Remote Similarity 0.5806 NPC109322
Remote Similarity 0.5772 NPC41958
Remote Similarity 0.5756 NPC473646
Remote Similarity 0.5753 NPC295452
Remote Similarity 0.5753 NPC171393
Remote Similarity 0.5731 NPC326694
Remote Similarity 0.5724 NPC68938
Remote Similarity 0.5714 NPC476527
Remote Similarity 0.5686 NPC158847
Remote Similarity 0.5667 NPC256849
Remote Similarity 0.5664 NPC293163
Remote Similarity 0.5663 NPC226184
Remote Similarity 0.5663 NPC167285
Remote Similarity 0.5663 NPC76544
Remote Similarity 0.5659 NPC54744
Remote Similarity 0.5644 NPC116555
Remote Similarity 0.564 NPC64216
Remote Similarity 0.5629 NPC199790
Remote Similarity 0.5611 NPC206148
Remote Similarity 0.5607 NPC156003
Remote Similarity 0.5604 NPC290959

Drug Structure

External Identifiers

TTD  
DrugBank   DB09221
ChEMBL   CHEMBL3184454
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D01611
PubChem CID  
ChEBI   32024
CAS Number  107667-60-7

Drug Properties

Molecular Weight  224.09
ALogP  -2.5778
MLogP  1.68
XLogP  -4.111
HDA  7
HBD  2
Rotatable Bonds  9
TPSA  111.9
RO5 Violation  0