Drug Information

Drug ID:  NPD9538
Drug Name:  Phenacemide
Molecular Formula:  C9H10N2O2
Canonical SMILES:  OC(=NC(=N)O)Cc1ccccc1
Standard InCHI:  InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
Standard InCHIKey:  XPFRXWCVYUEORT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9538

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
High Similarity 0.9136 NPC192623
High Similarity 0.8539 NPC172128
Intermediate Similarity 0.8333 NPC258627
Intermediate Similarity 0.8111 NPC325441
Intermediate Similarity 0.8043 NPC226438
Intermediate Similarity 0.8 NPC198747
Intermediate Similarity 0.8 NPC471638
Intermediate Similarity 0.7955 NPC146703
Intermediate Similarity 0.7826 NPC470877
Intermediate Similarity 0.7816 NPC309279
Intermediate Similarity 0.7812 NPC33168
Intermediate Similarity 0.7789 NPC303045
Intermediate Similarity 0.7789 NPC161972
Intermediate Similarity 0.7789 NPC58674
Intermediate Similarity 0.7766 NPC265521
Intermediate Similarity 0.7742 NPC121872
Intermediate Similarity 0.7742 NPC209764
Intermediate Similarity 0.7742 NPC316108
Intermediate Similarity 0.7742 NPC471307
Intermediate Similarity 0.7742 NPC74936
Intermediate Similarity 0.7742 NPC78041
Intermediate Similarity 0.7742 NPC159178
Intermediate Similarity 0.7742 NPC141139
Intermediate Similarity 0.7738 NPC108218
Intermediate Similarity 0.7732 NPC107619
Intermediate Similarity 0.7708 NPC25565
Intermediate Similarity 0.7647 NPC189371
Intermediate Similarity 0.7629 NPC475439
Intermediate Similarity 0.7629 NPC311242
Intermediate Similarity 0.7629 NPC473501
Intermediate Similarity 0.7526 NPC3371
Intermediate Similarity 0.75 NPC208302
Intermediate Similarity 0.75 NPC471309
Intermediate Similarity 0.7474 NPC245259
Intermediate Similarity 0.7426 NPC164859
Intermediate Similarity 0.7396 NPC323164
Intermediate Similarity 0.7386 NPC224544
Intermediate Similarity 0.7379 NPC327481
Intermediate Similarity 0.734 NPC12429
Intermediate Similarity 0.7327 NPC318154
Intermediate Similarity 0.7253 NPC14326
Intermediate Similarity 0.7204 NPC3210
Intermediate Similarity 0.7184 NPC113326
Intermediate Similarity 0.7184 NPC194390
Intermediate Similarity 0.7184 NPC224610
Intermediate Similarity 0.7184 NPC88267
Intermediate Similarity 0.7174 NPC285773
Intermediate Similarity 0.7156 NPC205652
Intermediate Similarity 0.7156 NPC470550
Intermediate Similarity 0.7143 NPC117180
Intermediate Similarity 0.7143 NPC133050
Intermediate Similarity 0.7129 NPC12730
Intermediate Similarity 0.7115 NPC211551
Intermediate Similarity 0.7103 NPC319579
Intermediate Similarity 0.7087 NPC178902
Intermediate Similarity 0.7087 NPC471317
Intermediate Similarity 0.7087 NPC178681
Intermediate Similarity 0.7079 NPC66655
Intermediate Similarity 0.7071 NPC20142
Intermediate Similarity 0.7071 NPC215351
Intermediate Similarity 0.7065 NPC87299
Intermediate Similarity 0.7065 NPC329319
Intermediate Similarity 0.7065 NPC103326
Intermediate Similarity 0.7065 NPC99394
Intermediate Similarity 0.7053 NPC211237
Intermediate Similarity 0.7048 NPC231705
Intermediate Similarity 0.7037 NPC329011
Intermediate Similarity 0.7033 NPC127343
Intermediate Similarity 0.7033 NPC328178
Intermediate Similarity 0.703 NPC315921
Intermediate Similarity 0.7009 NPC258056
Remote Similarity 0.6989 NPC172984
Remote Similarity 0.6972 NPC474584
Remote Similarity 0.6947 NPC203076
Remote Similarity 0.6947 NPC474211
Remote Similarity 0.6944 NPC474149
Remote Similarity 0.6923 NPC202613
Remote Similarity 0.6923 NPC170484
Remote Similarity 0.6923 NPC471310
Remote Similarity 0.6916 NPC153690
Remote Similarity 0.6915 NPC304538
Remote Similarity 0.6915 NPC168855
Remote Similarity 0.6897 NPC155429
Remote Similarity 0.6882 NPC121478
Remote Similarity 0.6882 NPC73637
Remote Similarity 0.6875 NPC473031
Remote Similarity 0.6875 NPC322387
Remote Similarity 0.687 NPC273830
Remote Similarity 0.6863 NPC303611
Remote Similarity 0.6863 NPC290515
Remote Similarity 0.6863 NPC226096
Remote Similarity 0.6863 NPC164514
Remote Similarity 0.6863 NPC108606
Remote Similarity 0.6848 NPC184030
Remote Similarity 0.6848 NPC121800
Remote Similarity 0.6848 NPC164449
Remote Similarity 0.6847 NPC118202
Remote Similarity 0.6842 NPC474354
Remote Similarity 0.6842 NPC283760
Remote Similarity 0.6827 NPC327226
Remote Similarity 0.6822 NPC142297
Remote Similarity 0.6809 NPC44830
Remote Similarity 0.6809 NPC477770
Remote Similarity 0.6804 NPC262393
Remote Similarity 0.6804 NPC329064
Remote Similarity 0.68 NPC476483
Remote Similarity 0.6786 NPC197470
Remote Similarity 0.6786 NPC317254
Remote Similarity 0.6771 NPC93843
Remote Similarity 0.6765 NPC324569
Remote Similarity 0.6765 NPC293628
Remote Similarity 0.6765 NPC122493
Remote Similarity 0.6765 NPC10781
Remote Similarity 0.6759 NPC96224
Remote Similarity 0.6759 NPC24101
Remote Similarity 0.6757 NPC474544
Remote Similarity 0.6757 NPC1986
Remote Similarity 0.6735 NPC1793
Remote Similarity 0.6731 NPC469457
Remote Similarity 0.6726 NPC2265
Remote Similarity 0.6726 NPC82963
Remote Similarity 0.6702 NPC283012
Remote Similarity 0.6702 NPC475199
Remote Similarity 0.6702 NPC103387
Remote Similarity 0.6702 NPC323103
Remote Similarity 0.6701 NPC155393
Remote Similarity 0.6698 NPC147000
Remote Similarity 0.6698 NPC150254
Remote Similarity 0.6698 NPC304761
Remote Similarity 0.6698 NPC226778
Remote Similarity 0.6667 NPC471319
Remote Similarity 0.6667 NPC95965
Remote Similarity 0.6667 NPC38458
Remote Similarity 0.6667 NPC37584
Remote Similarity 0.6667 NPC86670
Remote Similarity 0.6667 NPC99482
Remote Similarity 0.6667 NPC317400
Remote Similarity 0.6667 NPC70940
Remote Similarity 0.6667 NPC311737
Remote Similarity 0.6667 NPC471320
Remote Similarity 0.6667 NPC274455
Remote Similarity 0.6637 NPC235421
Remote Similarity 0.6636 NPC323007
Remote Similarity 0.6635 NPC125732
Remote Similarity 0.6634 NPC7067
Remote Similarity 0.6633 NPC23167
Remote Similarity 0.6633 NPC307235
Remote Similarity 0.6633 NPC407
Remote Similarity 0.6632 NPC270507
Remote Similarity 0.6632 NPC288903
Remote Similarity 0.6629 NPC244738
Remote Similarity 0.6609 NPC314992
Remote Similarity 0.6607 NPC35850
Remote Similarity 0.6607 NPC276949
Remote Similarity 0.6606 NPC182549
Remote Similarity 0.6606 NPC114741
Remote Similarity 0.6604 NPC68055
Remote Similarity 0.66 NPC317645
Remote Similarity 0.66 NPC300017
Remote Similarity 0.6598 NPC175313
Remote Similarity 0.6591 NPC229235
Remote Similarity 0.6581 NPC324702
Remote Similarity 0.6579 NPC147957
Remote Similarity 0.6577 NPC227553
Remote Similarity 0.6577 NPC163674
Remote Similarity 0.6574 NPC474804
Remote Similarity 0.6574 NPC474973
Remote Similarity 0.6574 NPC130898
Remote Similarity 0.6571 NPC328793
Remote Similarity 0.6571 NPC214200
Remote Similarity 0.6571 NPC228400
Remote Similarity 0.6569 NPC108339
Remote Similarity 0.6566 NPC27974
Remote Similarity 0.6566 NPC199567
Remote Similarity 0.6566 NPC25493
Remote Similarity 0.6566 NPC113460
Remote Similarity 0.6562 NPC95429
Remote Similarity 0.6552 NPC82770
Remote Similarity 0.6552 NPC78954
Remote Similarity 0.6552 NPC239931
Remote Similarity 0.6549 NPC142599
Remote Similarity 0.6549 NPC33742
Remote Similarity 0.6543 NPC198841
Remote Similarity 0.6535 NPC45040
Remote Similarity 0.6531 NPC197783
Remote Similarity 0.6526 NPC106313
Remote Similarity 0.6525 NPC27581
Remote Similarity 0.6517 NPC125144
Remote Similarity 0.6517 NPC121708
Remote Similarity 0.65 NPC258219
Remote Similarity 0.65 NPC177420
Remote Similarity 0.65 NPC78154
Remote Similarity 0.65 NPC474479
Remote Similarity 0.65 NPC123273
Remote Similarity 0.65 NPC242240
Remote Similarity 0.65 NPC318325
Remote Similarity 0.65 NPC280347
Remote Similarity 0.6496 NPC326232
Remote Similarity 0.6495 NPC265146
Remote Similarity 0.6495 NPC294134

Drug Structure

External Identifiers

TTD   DAP000501
DrugBank   DB01121
ChEMBL   CHEMBL918
IUPHAR/BPS   7265
PharmaGKB   PA164745309
KEGG Drug   D00504
PubChem CID   4753
ChEBI   8049
CAS Number  63-98-9

Drug Properties

Molecular Weight  178.07
ALogP  -0.2562
MLogP  2.01
XLogP  2.978
HDA  4
HBD  3
Rotatable Bonds  5
TPSA  76.67
RO5 Violation  0