NPASS drugs

Drug Information

Drug ID:	NPD9395
Drug Name:	Mebanazine
Molecular Formula:	C8H12N2
Canonical SMILES:	NNC(c1ccccc1)C
Standard InCHI:	InChI=1S/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3
Standard InCHIKey:	HHRZAEJMHSGZNP-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9395

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	277
0.1-0.2	3592
0.2-0.3	11324
0.3-0.4	11959
0.4-0.5	2985
0.5-0.6	568
0.6-0.7	155
0.7-0.8	18
0.8-0.85	7
0.85-0.9	3
0.9-0.95	2
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
High Similarity	0.9103	NPC98269
High Similarity	0.9103	NPC325662
High Similarity	0.8718	NPC112609
High Similarity	0.8718	NPC113000
High Similarity	0.8718	NPC122327
Intermediate Similarity	0.8452	NPC119677
Intermediate Similarity	0.8395	NPC290638
Intermediate Similarity	0.8333	NPC229235
Intermediate Similarity	0.8333	NPC219246
Intermediate Similarity	0.8148	NPC276699
Intermediate Similarity	0.8072	NPC12857
Intermediate Similarity	0.8049	NPC139658
Intermediate Similarity	0.7727	NPC169016
Intermediate Similarity	0.7711	NPC98976
Intermediate Similarity	0.7619	NPC271642
Intermediate Similarity	0.7556	NPC258046
Intermediate Similarity	0.7381	NPC299134
Intermediate Similarity	0.7292	NPC329430
Intermediate Similarity	0.7262	NPC244738
Intermediate Similarity	0.7222	NPC104070
Intermediate Similarity	0.7204	NPC30445
Intermediate Similarity	0.7188	NPC469330
Intermediate Similarity	0.7097	NPC262295
Intermediate Similarity	0.7053	NPC191444
Intermediate Similarity	0.7041	NPC471320
Intermediate Similarity	0.7041	NPC471319
Intermediate Similarity	0.7021	NPC111233
Intermediate Similarity	0.701	NPC246757
Intermediate Similarity	0.701	NPC291070
Intermediate Similarity	0.7	NPC231986
Remote Similarity	0.6979	NPC470926
Remote Similarity	0.6947	NPC176858
Remote Similarity	0.6947	NPC173991
Remote Similarity	0.6923	NPC300345
Remote Similarity	0.6923	NPC65873
Remote Similarity	0.6923	NPC120441
Remote Similarity	0.6923	NPC212114
Remote Similarity	0.6915	NPC473031
Remote Similarity	0.6837	NPC322040
Remote Similarity	0.6795	NPC198841
Remote Similarity	0.6795	NPC269586
Remote Similarity	0.6774	NPC133162
Remote Similarity	0.6771	NPC470877
Remote Similarity	0.6768	NPC108339
Remote Similarity	0.6737	NPC60408
Remote Similarity	0.6735	NPC108800
Remote Similarity	0.6733	NPC303611
Remote Similarity	0.6733	NPC108606
Remote Similarity	0.6733	NPC164514
Remote Similarity	0.6733	NPC226096
Remote Similarity	0.6733	NPC290515
Remote Similarity	0.6729	NPC172046
Remote Similarity	0.6707	NPC50266
Remote Similarity	0.6701	NPC121872
Remote Similarity	0.6701	NPC74936
Remote Similarity	0.6701	NPC209764
Remote Similarity	0.6701	NPC159178
Remote Similarity	0.6701	NPC141139
Remote Similarity	0.6701	NPC78041
Remote Similarity	0.6701	NPC471307
Remote Similarity	0.6667	NPC310758
Remote Similarity	0.6667	NPC135924
Remote Similarity	0.6667	NPC238023
Remote Similarity	0.6667	NPC210849
Remote Similarity	0.6667	NPC54368
Remote Similarity	0.6667	NPC248705
Remote Similarity	0.6667	NPC474088
Remote Similarity	0.6667	NPC149436
Remote Similarity	0.6667	NPC150196
Remote Similarity	0.6667	NPC7067
Remote Similarity	0.6667	NPC277704
Remote Similarity	0.6634	NPC293628
Remote Similarity	0.6634	NPC122493
Remote Similarity	0.6634	NPC10781
Remote Similarity	0.6625	NPC8235
Remote Similarity	0.6585	NPC29680
Remote Similarity	0.6543	NPC169110
Remote Similarity	0.6543	NPC147062
Remote Similarity	0.6531	NPC92689
Remote Similarity	0.6517	NPC301874
Remote Similarity	0.6512	NPC200936
Remote Similarity	0.6506	NPC88566
Remote Similarity	0.65	NPC471309
Remote Similarity	0.6471	NPC324569
Remote Similarity	0.6465	NPC226438
Remote Similarity	0.6463	NPC246588
Remote Similarity	0.6449	NPC327481
Remote Similarity	0.6437	NPC271732
Remote Similarity	0.6436	NPC161972
Remote Similarity	0.6436	NPC303045
Remote Similarity	0.6436	NPC215351
Remote Similarity	0.6436	NPC20142
Remote Similarity	0.6429	NPC155172
Remote Similarity	0.6429	NPC198023
Remote Similarity	0.6429	NPC32312
Remote Similarity	0.642	NPC36357
Remote Similarity	0.642	NPC114327
Remote Similarity	0.642	NPC64270
Remote Similarity	0.6415	NPC150254
Remote Similarity	0.6415	NPC147000
Remote Similarity	0.6415	NPC304761
Remote Similarity	0.6415	NPC226778
Remote Similarity	0.6392	NPC471638
Remote Similarity	0.6386	NPC66517
Remote Similarity	0.6386	NPC71009
Remote Similarity	0.6386	NPC22786
Remote Similarity	0.6381	NPC239854
Remote Similarity	0.6381	NPC291610
Remote Similarity	0.6373	NPC25565
Remote Similarity	0.6364	NPC316108
Remote Similarity	0.6364	NPC78154
Remote Similarity	0.6355	NPC474695
Remote Similarity	0.6355	NPC67043
Remote Similarity	0.6353	NPC178527
Remote Similarity	0.6327	NPC12429
Remote Similarity	0.6321	NPC164859
Remote Similarity	0.6316	NPC134825
Remote Similarity	0.6311	NPC473501
Remote Similarity	0.6311	NPC475439
Remote Similarity	0.631	NPC45756
Remote Similarity	0.631	NPC113670
Remote Similarity	0.631	NPC21211
Remote Similarity	0.63	NPC245259
Remote Similarity	0.6289	NPC203076
Remote Similarity	0.6279	NPC6107
Remote Similarity	0.6279	NPC267443
Remote Similarity	0.6264	NPC110264
Remote Similarity	0.6262	NPC275467
Remote Similarity	0.6262	NPC469974
Remote Similarity	0.6238	NPC473661
Remote Similarity	0.6235	NPC291066
Remote Similarity	0.6228	NPC101139
Remote Similarity	0.6226	NPC327226
Remote Similarity	0.6211	NPC14326
Remote Similarity	0.6204	NPC476198
Remote Similarity	0.619	NPC200745
Remote Similarity	0.619	NPC125732
Remote Similarity	0.6182	NPC77294
Remote Similarity	0.6182	NPC97811
Remote Similarity	0.618	NPC125144
Remote Similarity	0.618	NPC121708
Remote Similarity	0.6174	NPC313673
Remote Similarity	0.617	NPC475573
Remote Similarity	0.617	NPC192623
Remote Similarity	0.617	NPC475289
Remote Similarity	0.6163	NPC113837
Remote Similarity	0.6163	NPC289915
Remote Similarity	0.6154	NPC311242
Remote Similarity	0.6136	NPC213570
Remote Similarity	0.6136	NPC139416
Remote Similarity	0.6136	NPC246822
Remote Similarity	0.6132	NPC29601
Remote Similarity	0.6126	NPC24777
Remote Similarity	0.6106	NPC474584
Remote Similarity	0.6095	NPC322598
Remote Similarity	0.6092	NPC52330
Remote Similarity	0.6091	NPC172170
Remote Similarity	0.6087	NPC35599
Remote Similarity	0.6087	NPC317031
Remote Similarity	0.6071	NPC319579
Remote Similarity	0.6071	NPC45255
Remote Similarity	0.6068	NPC320656
Remote Similarity	0.6061	NPC17497
Remote Similarity	0.6061	NPC305602
Remote Similarity	0.6055	NPC42383
Remote Similarity	0.6038	NPC12730
Remote Similarity	0.6036	NPC302790
Remote Similarity	0.6023	NPC311343
Remote Similarity	0.602	NPC3210
Remote Similarity	0.6019	NPC68055
Remote Similarity	0.6019	NPC471317
Remote Similarity	0.6019	NPC471310
Remote Similarity	0.6019	NPC202613
Remote Similarity	0.6018	NPC21890
Remote Similarity	0.6018	NPC329011
Remote Similarity	0.6	NPC39799
Remote Similarity	0.6	NPC280135
Remote Similarity	0.6	NPC309279
Remote Similarity	0.6	NPC226999
Remote Similarity	0.6	NPC158028
Remote Similarity	0.6	NPC87099
Remote Similarity	0.6	NPC193578
Remote Similarity	0.6	NPC1008
Remote Similarity	0.6	NPC74458
Remote Similarity	0.6	NPC135433
Remote Similarity	0.5981	NPC214200
Remote Similarity	0.5981	NPC228400
Remote Similarity	0.5981	NPC474582
Remote Similarity	0.5977	NPC36440
Remote Similarity	0.5963	NPC224610
Remote Similarity	0.5963	NPC113326
Remote Similarity	0.5963	NPC194390
Remote Similarity	0.5963	NPC88267
Remote Similarity	0.5962	NPC58674
Remote Similarity	0.5955	NPC473206
Remote Similarity	0.5955	NPC98880
Remote Similarity	0.5952	NPC147578
Remote Similarity	0.5948	NPC197470
Remote Similarity	0.5946	NPC79618
Remote Similarity	0.5946	NPC434

Drug Structure

External Identifiers

TTD
DrugBank	DB09248
ChEMBL	CHEMBL1909283
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI	134728
CAS Number	65-64-5

Drug Properties

Molecular Weight	136.10
ALogP	-1.015
MLogP	2.12
XLogP	2.578
HDA	2
HBD	2
Rotatable Bonds	4
TPSA	38.05
RO5 Violation	0