NPASS drugs

Drug Information

Drug ID:	NPD8979
Drug Name:	Eflornithine Hydrochloride Hydrate
Molecular Formula:	C6H12F2N2O2.ClH.H2O
Canonical SMILES:	NCCCC(C(=O)O)(C(F)F)N.O.Cl
Standard InCHI:	InChI=1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
Standard InCHIKey:	FJPAMFNRCFEGSD-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD8979

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.

Range	Similarity Score Range
0-0.1	57
0.1-0.2	16104
0.2-0.3	12574
0.3-0.4	1641
0.4-0.5	322
0.5-0.6	100
0.6-0.7	73
0.7-0.8	17
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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

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