NPASS drugs

Drug Information

Drug ID:	NPD530
Drug Name:	Pheneturide
Molecular Formula:	C11H14N2O2
Canonical SMILES:	CCC(C(=NC(=N)O)O)c1ccccc1
Standard InCHI:	InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)
Standard InCHIKey:	AJOQSQHYDOFIOX-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD530

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	56
0.1-0.2	673
0.2-0.3	3347
0.3-0.4	12090
0.4-0.5	11397
0.5-0.6	2702
0.6-0.7	562
0.7-0.8	61
0.8-0.85	1
0.85-0.9	1
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
High Similarity	0.8706	NPC192623
Intermediate Similarity	0.8172	NPC172128
Intermediate Similarity	0.7979	NPC258627
Intermediate Similarity	0.7849	NPC198747
Intermediate Similarity	0.7841	NPC224544
Intermediate Similarity	0.7835	NPC303045
Intermediate Similarity	0.7835	NPC161972
Intermediate Similarity	0.7766	NPC325441
Intermediate Similarity	0.7755	NPC25565
Intermediate Similarity	0.7708	NPC226438
Intermediate Similarity	0.7701	NPC189371
Intermediate Similarity	0.7684	NPC470877
Intermediate Similarity	0.7677	NPC475439
Intermediate Similarity	0.7677	NPC473501
Intermediate Similarity	0.766	NPC471638
Intermediate Similarity	0.7653	NPC58674
Intermediate Similarity	0.7609	NPC146703
Intermediate Similarity	0.7604	NPC159178
Intermediate Similarity	0.7604	NPC316108
Intermediate Similarity	0.7604	NPC74936
Intermediate Similarity	0.7604	NPC209764
Intermediate Similarity	0.7604	NPC141139
Intermediate Similarity	0.7604	NPC121872
Intermediate Similarity	0.7604	NPC471307
Intermediate Similarity	0.7604	NPC78041
Intermediate Similarity	0.75	NPC33168
Intermediate Similarity	0.7473	NPC309279
Intermediate Similarity	0.7449	NPC265521
Intermediate Similarity	0.7429	NPC327481
Intermediate Similarity	0.7426	NPC107619
Intermediate Similarity	0.7391	NPC133050
Intermediate Similarity	0.7386	NPC108218
Intermediate Similarity	0.7379	NPC318154
Intermediate Similarity	0.7374	NPC471309
Intermediate Similarity	0.7364	NPC470550
Intermediate Similarity	0.7364	NPC205652
Intermediate Similarity	0.7347	NPC245259
Intermediate Similarity	0.7327	NPC311242
Intermediate Similarity	0.7312	NPC14326
Intermediate Similarity	0.7292	NPC322387
Intermediate Similarity	0.7283	NPC328178
Intermediate Similarity	0.7238	NPC194390
Intermediate Similarity	0.7238	NPC88267
Intermediate Similarity	0.7238	NPC224610
Intermediate Similarity	0.7238	NPC113326
Intermediate Similarity	0.7228	NPC3371
Intermediate Similarity	0.7216	NPC12429
Intermediate Similarity	0.7188	NPC474211
Intermediate Similarity	0.7188	NPC93843
Intermediate Similarity	0.7159	NPC208302
Intermediate Similarity	0.7158	NPC168855
Intermediate Similarity	0.7156	NPC474149
Intermediate Similarity	0.7143	NPC164859
Intermediate Similarity	0.71	NPC323164
Intermediate Similarity	0.7083	NPC3210
Intermediate Similarity	0.7083	NPC474354
Intermediate Similarity	0.7071	NPC70940
Intermediate Similarity	0.7071	NPC274455
Intermediate Similarity	0.7071	NPC86670
Intermediate Similarity	0.7053	NPC172984
Intermediate Similarity	0.7053	NPC477770
Intermediate Similarity	0.7027	NPC474584
Intermediate Similarity	0.7019	NPC12730
Remote Similarity	0.6981	NPC178902
Remote Similarity	0.6981	NPC471317
Remote Similarity	0.6979	NPC304538
Remote Similarity	0.697	NPC1793
Remote Similarity	0.6952	NPC469457
Remote Similarity	0.6947	NPC103326
Remote Similarity	0.6947	NPC87299
Remote Similarity	0.6947	NPC329319
Remote Similarity	0.6947	NPC99394
Remote Similarity	0.6944	NPC231705
Remote Similarity	0.6909	NPC258056
Remote Similarity	0.6903	NPC118202
Remote Similarity	0.6897	NPC283760
Remote Similarity	0.6875	NPC285773
Remote Similarity	0.6869	NPC329064
Remote Similarity	0.6852	NPC211551
Remote Similarity	0.6847	NPC319579
Remote Similarity	0.6847	NPC323007
Remote Similarity	0.6842	NPC117180
Remote Similarity	0.6842	NPC317254
Remote Similarity	0.6822	NPC471310
Remote Similarity	0.6822	NPC202613
Remote Similarity	0.6822	NPC178681
Remote Similarity	0.6818	NPC182549
Remote Similarity	0.6818	NPC114741
Remote Similarity	0.6814	NPC474544
Remote Similarity	0.6814	NPC1986
Remote Similarity	0.6809	NPC170484
Remote Similarity	0.6804	NPC95429
Remote Similarity	0.6796	NPC215351
Remote Similarity	0.6796	NPC20142
Remote Similarity	0.6786	NPC329011
Remote Similarity	0.6783	NPC2265
Remote Similarity	0.678	NPC273830
Remote Similarity	0.6774	NPC66655
Remote Similarity	0.6771	NPC103387
Remote Similarity	0.6771	NPC73637
Remote Similarity	0.6771	NPC121478
Remote Similarity	0.6768	NPC211237
Remote Similarity	0.6768	NPC473031
Remote Similarity	0.6765	NPC314690
Remote Similarity	0.6765	NPC304541
Remote Similarity	0.6762	NPC108606
Remote Similarity	0.6762	NPC290515
Remote Similarity	0.6762	NPC226096
Remote Similarity	0.6762	NPC303611
Remote Similarity	0.6762	NPC164514
Remote Similarity	0.6762	NPC315921
Remote Similarity	0.6737	NPC164449
Remote Similarity	0.6737	NPC184030
Remote Similarity	0.6737	NPC121800
Remote Similarity	0.6737	NPC127343
Remote Similarity	0.6733	NPC258219
Remote Similarity	0.6729	NPC327226
Remote Similarity	0.6727	NPC142297
Remote Similarity	0.6706	NPC135924
Remote Similarity	0.6701	NPC44830
Remote Similarity	0.6701	NPC270507
Remote Similarity	0.6696	NPC235421
Remote Similarity	0.6696	NPC197470
Remote Similarity	0.6667	NPC314992
Remote Similarity	0.6667	NPC203076
Remote Similarity	0.6667	NPC153690
Remote Similarity	0.6667	NPC243166
Remote Similarity	0.6667	NPC79917
Remote Similarity	0.6636	NPC474804
Remote Similarity	0.6636	NPC274089
Remote Similarity	0.6636	NPC474973
Remote Similarity	0.6636	NPC130898
Remote Similarity	0.6636	NPC191215
Remote Similarity	0.6634	NPC199567
Remote Similarity	0.6606	NPC304761
Remote Similarity	0.6606	NPC147000
Remote Similarity	0.6606	NPC150254
Remote Similarity	0.6606	NPC226778
Remote Similarity	0.6602	NPC306074
Remote Similarity	0.6598	NPC323103
Remote Similarity	0.6593	NPC155429
Remote Similarity	0.6571	NPC317400
Remote Similarity	0.6571	NPC471320
Remote Similarity	0.6571	NPC8392
Remote Similarity	0.6571	NPC471319
Remote Similarity	0.6569	NPC123273
Remote Similarity	0.6569	NPC318325
Remote Similarity	0.6569	NPC242240
Remote Similarity	0.6566	NPC99482
Remote Similarity	0.6557	NPC474479
Remote Similarity	0.6552	NPC88566
Remote Similarity	0.6552	NPC188010
Remote Similarity	0.6545	NPC143516
Remote Similarity	0.6538	NPC476483
Remote Similarity	0.6538	NPC55903
Remote Similarity	0.6535	NPC307235
Remote Similarity	0.6535	NPC407
Remote Similarity	0.6535	NPC23167
Remote Similarity	0.6535	NPC262393
Remote Similarity	0.6531	NPC288903
Remote Similarity	0.6525	NPC310467
Remote Similarity	0.6522	NPC35850
Remote Similarity	0.6522	NPC276949
Remote Similarity	0.6518	NPC24101
Remote Similarity	0.6518	NPC96224
Remote Similarity	0.6509	NPC473388
Remote Similarity	0.6509	NPC259512
Remote Similarity	0.6509	NPC122493
Remote Similarity	0.6509	NPC312132
Remote Similarity	0.6509	NPC324569
Remote Similarity	0.6509	NPC293628
Remote Similarity	0.6509	NPC10781
Remote Similarity	0.6505	NPC220596
Remote Similarity	0.6504	NPC477937
Remote Similarity	0.65	NPC71684
Remote Similarity	0.6496	NPC470544
Remote Similarity	0.6496	NPC82963
Remote Similarity	0.6491	NPC166837
Remote Similarity	0.6481	NPC228400
Remote Similarity	0.6481	NPC214200
Remote Similarity	0.6481	NPC72729
Remote Similarity	0.6477	NPC32312
Remote Similarity	0.6477	NPC198023
Remote Similarity	0.6477	NPC155172
Remote Similarity	0.6476	NPC27323
Remote Similarity	0.6476	NPC289769
Remote Similarity	0.6476	NPC152415
Remote Similarity	0.6476	NPC316301
Remote Similarity	0.6476	NPC172925
Remote Similarity	0.6471	NPC27974
Remote Similarity	0.6471	NPC25493
Remote Similarity	0.6471	NPC113460
Remote Similarity	0.6466	NPC142599
Remote Similarity	0.6466	NPC33742
Remote Similarity	0.6465	NPC267704
Remote Similarity	0.6458	NPC469894
Remote Similarity	0.6449	NPC79241
Remote Similarity	0.6449	NPC77492
Remote Similarity	0.6449	NPC6597
Remote Similarity	0.6446	NPC109151

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	206.11
ALogP	-0.6724
MLogP	2.23
XLogP	3.84
HDA	4
HBD	3
Rotatable Bonds	7
TPSA	76.67
RO5 Violation	0