Drug Information

Drug ID:  NPD379
Drug Name:  
Molecular Formula:  C10H20N2O2
Canonical SMILES:  CCCC(C(=NCC(=N)O)O)CCC
Standard InCHI:  InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)
Standard InCHIKey:  RALGCAOVRLYSMA-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD379

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 0.7755 NPC87359
Intermediate Similarity 0.7755 NPC180402
Intermediate Similarity 0.76 NPC80350
Intermediate Similarity 0.7193 NPC329564
Intermediate Similarity 0.7193 NPC327170
Intermediate Similarity 0.717 NPC137327
Intermediate Similarity 0.7018 NPC321468
Intermediate Similarity 0.7018 NPC327748
Intermediate Similarity 0.7018 NPC316826
Intermediate Similarity 0.7018 NPC317143
Remote Similarity 0.6964 NPC318260
Remote Similarity 0.6964 NPC317147
Remote Similarity 0.6885 NPC470108
Remote Similarity 0.6875 NPC241279
Remote Similarity 0.6863 NPC319709
Remote Similarity 0.6863 NPC289484
Remote Similarity 0.6842 NPC472578
Remote Similarity 0.678 NPC314510
Remote Similarity 0.6774 NPC470109
Remote Similarity 0.6739 NPC277333
Remote Similarity 0.6727 NPC316889
Remote Similarity 0.6727 NPC321118
Remote Similarity 0.6667 NPC470110
Remote Similarity 0.6481 NPC329181
Remote Similarity 0.6481 NPC319110
Remote Similarity 0.6458 NPC28394
Remote Similarity 0.6458 NPC31557
Remote Similarity 0.6452 NPC41429
Remote Similarity 0.6364 NPC322946
Remote Similarity 0.6364 NPC95174
Remote Similarity 0.6308 NPC472579
Remote Similarity 0.6296 NPC328378
Remote Similarity 0.629 NPC313420
Remote Similarity 0.6167 NPC254541
Remote Similarity 0.6122 NPC327250
Remote Similarity 0.6078 NPC222078
Remote Similarity 0.6071 NPC471131
Remote Similarity 0.6047 NPC254685
Remote Similarity 0.6042 NPC25237
Remote Similarity 0.6 NPC189301
Remote Similarity 0.6 NPC176164
Remote Similarity 0.597 NPC478256
Remote Similarity 0.5942 NPC43219
Remote Similarity 0.5918 NPC111686
Remote Similarity 0.5909 NPC195165
Remote Similarity 0.5902 NPC320598
Remote Similarity 0.5902 NPC216415
Remote Similarity 0.5902 NPC476537
Remote Similarity 0.5882 NPC477200
Remote Similarity 0.5873 NPC21848
Remote Similarity 0.5873 NPC124849
Remote Similarity 0.587 NPC328698
Remote Similarity 0.5862 NPC270041
Remote Similarity 0.5857 NPC86064
Remote Similarity 0.5818 NPC193872
Remote Similarity 0.5797 NPC315897
Remote Similarity 0.5763 NPC322573
Remote Similarity 0.5763 NPC470666
Remote Similarity 0.5745 NPC283682
Remote Similarity 0.5741 NPC297220
Remote Similarity 0.5714 NPC150560
Remote Similarity 0.5714 NPC476248
Remote Similarity 0.5686 NPC321202
Remote Similarity 0.5667 NPC242930
Remote Similarity 0.5667 NPC38463
Remote Similarity 0.5645 NPC321536
Remote Similarity 0.5645 NPC321030
Remote Similarity 0.5616 NPC37681
Remote Similarity 0.5614 NPC326283
Remote Similarity 0.5614 NPC321394
Remote Similarity 0.5606 NPC474402

Drug Structure

External Identifiers

TTD   DIB009391
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  200.15
ALogP  -0.4719
MLogP  2.12
XLogP  2.392
HDA  4
HBD  3
Rotatable Bonds  11
TPSA  76.67
RO5 Violation  0