Drug Information

Drug ID:  NPD9217
Drug Name:  
Molecular Formula:  C7H14NO5P
Canonical SMILES:  OC(=O)[C@H]1NCC[C@H](C1)CP(=O)(O)O
Standard InCHI:  InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
Standard InCHIKey:  LPMRCCNDNGONCD-RITPCOANSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9217

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 0.806 NPC64250
Intermediate Similarity 0.806 NPC276928
Intermediate Similarity 0.806 NPC268927
Intermediate Similarity 0.7568 NPC15864
Intermediate Similarity 0.72 NPC107224
Intermediate Similarity 0.7051 NPC185084
Remote Similarity 0.6667 NPC245346
Remote Similarity 0.6667 NPC11433
Remote Similarity 0.6667 NPC302003
Remote Similarity 0.6528 NPC278209
Remote Similarity 0.6471 NPC316231
Remote Similarity 0.6471 NPC226027
Remote Similarity 0.6471 NPC174246
Remote Similarity 0.6471 NPC245027
Remote Similarity 0.6471 NPC162620
Remote Similarity 0.6471 NPC84636
Remote Similarity 0.6471 NPC112890
Remote Similarity 0.6471 NPC62045
Remote Similarity 0.6471 NPC324825
Remote Similarity 0.6471 NPC43204
Remote Similarity 0.641 NPC188231
Remote Similarity 0.641 NPC222327
Remote Similarity 0.6404 NPC69374
Remote Similarity 0.6404 NPC90476
Remote Similarity 0.6395 NPC219340
Remote Similarity 0.6377 NPC315977
Remote Similarity 0.6364 NPC472609
Remote Similarity 0.6338 NPC279661
Remote Similarity 0.6338 NPC183845
Remote Similarity 0.6286 NPC155512
Remote Similarity 0.6216 NPC319279
Remote Similarity 0.6154 NPC278881
Remote Similarity 0.6071 NPC327272
Remote Similarity 0.6053 NPC327170
Remote Similarity 0.6053 NPC329564
Remote Similarity 0.6 NPC78312
Remote Similarity 0.6 NPC135539
Remote Similarity 0.6 NPC221764
Remote Similarity 0.6 NPC189301
Remote Similarity 0.6 NPC196359
Remote Similarity 0.6 NPC176164
Remote Similarity 0.597 NPC323974
Remote Similarity 0.5921 NPC317143
Remote Similarity 0.5921 NPC320598
Remote Similarity 0.5921 NPC254541
Remote Similarity 0.5921 NPC316826
Remote Similarity 0.5921 NPC321468
Remote Similarity 0.5921 NPC327748
Remote Similarity 0.5904 NPC306973
Remote Similarity 0.5882 NPC118459
Remote Similarity 0.5882 NPC327698
Remote Similarity 0.5875 NPC325534
Remote Similarity 0.5867 NPC317147
Remote Similarity 0.5867 NPC318260
Remote Similarity 0.5857 NPC140872
Remote Similarity 0.5857 NPC93081
Remote Similarity 0.5844 NPC177191
Remote Similarity 0.5833 NPC315897
Remote Similarity 0.5833 NPC200550
Remote Similarity 0.5833 NPC155156
Remote Similarity 0.5816 NPC40663
Remote Similarity 0.5789 NPC190385
Remote Similarity 0.5769 NPC118429
Remote Similarity 0.5765 NPC208657
Remote Similarity 0.5735 NPC132307
Remote Similarity 0.5735 NPC325097
Remote Similarity 0.5735 NPC126925
Remote Similarity 0.5735 NPC198301
Remote Similarity 0.5694 NPC137958
Remote Similarity 0.5694 NPC273330
Remote Similarity 0.5679 NPC287693
Remote Similarity 0.5663 NPC322274
Remote Similarity 0.5658 NPC283786
Remote Similarity 0.5641 NPC68974
Remote Similarity 0.5625 NPC226453
Remote Similarity 0.5625 NPC103130
Remote Similarity 0.5616 NPC322946
Remote Similarity 0.561 NPC314221
Remote Similarity 0.561 NPC60424
Remote Similarity 0.5604 NPC53858
Remote Similarity 0.5604 NPC84128

Drug Structure

External Identifiers

TTD   DNC001319
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   68736
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  223.06
ALogP  -2.4048
MLogP  1.46
XLogP  -1.48
HDA  6
HBD  4
Rotatable Bonds  6
TPSA  116.67
RO5 Violation  0