Drug Information

Drug ID:  NPD8980
Drug Name:  Eflornithine
Molecular Formula:  C6H12F2N2O2
Canonical SMILES:  NCCCC(C(=O)O)(C(F)F)N
Standard InCHI:  InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
Standard InCHIKey:  VLCYCQAOQCDTCN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD8980

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 0.8269 NPC140872
Intermediate Similarity 0.8269 NPC93081
Intermediate Similarity 0.7778 NPC62045
Intermediate Similarity 0.7778 NPC162620
Intermediate Similarity 0.7778 NPC245027
Intermediate Similarity 0.7647 NPC276294
Intermediate Similarity 0.7455 NPC324825
Intermediate Similarity 0.7455 NPC112890
Intermediate Similarity 0.7455 NPC174246
Intermediate Similarity 0.7455 NPC316231
Intermediate Similarity 0.7455 NPC84636
Intermediate Similarity 0.7455 NPC43204
Intermediate Similarity 0.7455 NPC226027
Intermediate Similarity 0.7358 NPC327698
Intermediate Similarity 0.7358 NPC118459
Intermediate Similarity 0.7241 NPC183845
Intermediate Similarity 0.7241 NPC279661
Intermediate Similarity 0.7193 NPC155512
Intermediate Similarity 0.7091 NPC101249
Remote Similarity 0.6935 NPC321468
Remote Similarity 0.6935 NPC327748
Remote Similarity 0.6885 NPC317147
Remote Similarity 0.6852 NPC126925
Remote Similarity 0.6852 NPC132307
Remote Similarity 0.6852 NPC323974
Remote Similarity 0.6852 NPC325097
Remote Similarity 0.6825 NPC327170
Remote Similarity 0.6825 NPC329564
Remote Similarity 0.678 NPC190184
Remote Similarity 0.678 NPC197087
Remote Similarity 0.6774 NPC11433
Remote Similarity 0.6774 NPC302003
Remote Similarity 0.6774 NPC245346
Remote Similarity 0.6727 NPC329263
Remote Similarity 0.6724 NPC273330
Remote Similarity 0.6724 NPC137958
Remote Similarity 0.6719 NPC118429
Remote Similarity 0.6716 NPC222327
Remote Similarity 0.6716 NPC188231
Remote Similarity 0.6667 NPC316826
Remote Similarity 0.6667 NPC317143
Remote Similarity 0.6613 NPC318260
Remote Similarity 0.6613 NPC278209
Remote Similarity 0.6604 NPC168375
Remote Similarity 0.6604 NPC326992
Remote Similarity 0.6604 NPC121517
Remote Similarity 0.6522 NPC15864
Remote Similarity 0.6515 NPC226453
Remote Similarity 0.6515 NPC103130
Remote Similarity 0.6508 NPC176164
Remote Similarity 0.6508 NPC190385
Remote Similarity 0.6508 NPC189301
Remote Similarity 0.6452 NPC38463
Remote Similarity 0.6452 NPC325985
Remote Similarity 0.6406 NPC254541
Remote Similarity 0.6406 NPC320598
Remote Similarity 0.6364 NPC167986
Remote Similarity 0.6364 NPC291186
Remote Similarity 0.6333 NPC322946
Remote Similarity 0.6324 NPC327985
Remote Similarity 0.6308 NPC68974
Remote Similarity 0.6301 NPC327272
Remote Similarity 0.629 NPC2801
Remote Similarity 0.6271 NPC328378
Remote Similarity 0.625 NPC319279
Remote Similarity 0.6226 NPC18188
Remote Similarity 0.6207 NPC136159
Remote Similarity 0.6167 NPC50457
Remote Similarity 0.6154 NPC276928
Remote Similarity 0.6154 NPC9294
Remote Similarity 0.6154 NPC321536
Remote Similarity 0.6154 NPC64250
Remote Similarity 0.6154 NPC268927
Remote Similarity 0.6129 NPC316889
Remote Similarity 0.6129 NPC321118
Remote Similarity 0.6102 NPC153370
Remote Similarity 0.6087 NPC287693
Remote Similarity 0.6061 NPC143722
Remote Similarity 0.6056 NPC322274
Remote Similarity 0.6056 NPC133183
Remote Similarity 0.6034 NPC49952
Remote Similarity 0.6034 NPC136476
Remote Similarity 0.6032 NPC322573
Remote Similarity 0.6027 NPC315897
Remote Similarity 0.6 NPC196359
Remote Similarity 0.6 NPC78312
Remote Similarity 0.6 NPC135539
Remote Similarity 0.6 NPC53449
Remote Similarity 0.6 NPC326212
Remote Similarity 0.6 NPC237525
Remote Similarity 0.6 NPC221764
Remote Similarity 0.6 NPC66043
Remote Similarity 0.5942 NPC278881
Remote Similarity 0.5902 NPC125736
Remote Similarity 0.589 NPC328457
Remote Similarity 0.5862 NPC208793
Remote Similarity 0.5862 NPC285322
Remote Similarity 0.5849 NPC21290
Remote Similarity 0.5849 NPC116709
Remote Similarity 0.5849 NPC272614
Remote Similarity 0.5797 NPC289691
Remote Similarity 0.5775 NPC60424
Remote Similarity 0.5775 NPC314221
Remote Similarity 0.5763 NPC309658
Remote Similarity 0.5763 NPC185755
Remote Similarity 0.5763 NPC213876
Remote Similarity 0.5763 NPC297220
Remote Similarity 0.5741 NPC63621
Remote Similarity 0.5738 NPC193989
Remote Similarity 0.5738 NPC93888
Remote Similarity 0.5738 NPC170739
Remote Similarity 0.5738 NPC152451
Remote Similarity 0.5738 NPC270805
Remote Similarity 0.5735 NPC302188
Remote Similarity 0.5733 NPC320221
Remote Similarity 0.5714 NPC174304
Remote Similarity 0.5714 NPC50047
Remote Similarity 0.5714 NPC325597
Remote Similarity 0.569 NPC198301
Remote Similarity 0.5667 NPC181588
Remote Similarity 0.5645 NPC315977
Remote Similarity 0.5634 NPC325534
Remote Similarity 0.5625 NPC322091
Remote Similarity 0.5625 NPC60672

Drug Structure

External Identifiers

TTD   DAP001349; DNC000542
DrugBank   DB06243
ChEMBL   CHEMBL830
IUPHAR/BPS   5176
PharmaGKB  
KEGG Drug   D07883
PubChem CID   3009; 441361
ChEBI   41948
CAS Number  70052-12-9

Drug Properties

Molecular Weight  182.09
ALogP  -1.4415
MLogP  1.46
XLogP  -2.711
HDA  4
HBD  3
Rotatable Bonds  10
TPSA  89.34
RO5 Violation  0