Drug Information

Drug ID:  NPD1456
Drug Name:  
Molecular Formula:  C14H27N3O2
Canonical SMILES:  OC(=NCCN(C(C)C)C(C)C)CN1CCCC1=O
Standard InCHI:  InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)
Standard InCHIKey:  ZULJGOSFKWFVRX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1456

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 0.7619 NPC84182
Intermediate Similarity 0.7619 NPC128005
Intermediate Similarity 0.7576 NPC76297
Intermediate Similarity 0.7576 NPC196007
Intermediate Similarity 0.7576 NPC214532
Intermediate Similarity 0.7353 NPC266888
Intermediate Similarity 0.7353 NPC161774
Intermediate Similarity 0.7353 NPC256312
Intermediate Similarity 0.7353 NPC209156
Intermediate Similarity 0.7143 NPC243964
Intermediate Similarity 0.7042 NPC59867
Remote Similarity 0.6863 NPC234196
Remote Similarity 0.6857 NPC126186
Remote Similarity 0.6849 NPC312315
Remote Similarity 0.6812 NPC470781
Remote Similarity 0.6724 NPC204607
Remote Similarity 0.6667 NPC475542
Remote Similarity 0.6667 NPC470783
Remote Similarity 0.6622 NPC31756
Remote Similarity 0.6533 NPC476117
Remote Similarity 0.6533 NPC476156
Remote Similarity 0.6533 NPC476243
Remote Similarity 0.6533 NPC476137
Remote Similarity 0.6522 NPC322274
Remote Similarity 0.6447 NPC476302
Remote Similarity 0.6438 NPC470782
Remote Similarity 0.6324 NPC287693
Remote Similarity 0.6301 NPC327272
Remote Similarity 0.6269 NPC57420
Remote Similarity 0.6164 NPC320221
Remote Similarity 0.6049 NPC477539
Remote Similarity 0.6027 NPC29326
Remote Similarity 0.5952 NPC474593
Remote Similarity 0.5952 NPC475801
Remote Similarity 0.5949 NPC53858
Remote Similarity 0.5949 NPC284456
Remote Similarity 0.5949 NPC184473
Remote Similarity 0.5949 NPC6902
Remote Similarity 0.5949 NPC84128
Remote Similarity 0.5909 NPC292299
Remote Similarity 0.5909 NPC34838
Remote Similarity 0.5882 NPC474576
Remote Similarity 0.5882 NPC105297
Remote Similarity 0.5833 NPC275715
Remote Similarity 0.5823 NPC23984
Remote Similarity 0.5821 NPC263207
Remote Similarity 0.5814 NPC173763
Remote Similarity 0.5814 NPC471098
Remote Similarity 0.5814 NPC62263
Remote Similarity 0.5802 NPC472351
Remote Similarity 0.5735 NPC314510
Remote Similarity 0.5714 NPC262615
Remote Similarity 0.5714 NPC128559
Remote Similarity 0.5698 NPC477538
Remote Similarity 0.5679 NPC235078
Remote Similarity 0.5618 NPC117829

Drug Structure

External Identifiers

TTD   DIB001594
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  269.21
ALogP  -1.2432
MLogP  2.45
XLogP  1.039
HDA  5
HBD  1
Rotatable Bonds  12
TPSA  56.14
RO5 Violation  0