Drug Information

Drug ID:  NPD719
Drug Name:  Phenobarbital Sodium
Molecular Formula:  C12H12N2O3.Na
Canonical SMILES:  CCC1(c2ccccc2)C(=NC(=O)N=C1O)[O-].[Na+]
Standard InCHI:  InChI=1S/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1
Standard InCHIKey:  WRLGYAWRGXKSKG-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD719

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 0.8 NPC172128
Intermediate Similarity 0.7917 NPC226438
Intermediate Similarity 0.7889 NPC192623
Intermediate Similarity 0.7857 NPC303045
Intermediate Similarity 0.7857 NPC161972
Intermediate Similarity 0.7812 NPC258627
Intermediate Similarity 0.7684 NPC198747
Intermediate Similarity 0.7604 NPC325441
Intermediate Similarity 0.7528 NPC189371
Intermediate Similarity 0.7525 NPC311242
Intermediate Similarity 0.7473 NPC224544
Intermediate Similarity 0.7404 NPC318154
Intermediate Similarity 0.7353 NPC33168
Intermediate Similarity 0.7347 NPC470877
Intermediate Similarity 0.7327 NPC58674
Intermediate Similarity 0.732 NPC471638
Intermediate Similarity 0.73 NPC265521
Intermediate Similarity 0.7273 NPC316108
Intermediate Similarity 0.7273 NPC78041
Intermediate Similarity 0.7273 NPC141139
Intermediate Similarity 0.7273 NPC121872
Intermediate Similarity 0.7273 NPC471307
Intermediate Similarity 0.7273 NPC74936
Intermediate Similarity 0.7273 NPC209764
Intermediate Similarity 0.7273 NPC159178
Intermediate Similarity 0.7255 NPC25565
Intermediate Similarity 0.7255 NPC3371
Intermediate Similarity 0.7234 NPC133050
Intermediate Similarity 0.7222 NPC108218
Intermediate Similarity 0.7184 NPC475439
Intermediate Similarity 0.7184 NPC473501
Intermediate Similarity 0.7143 NPC474544
Intermediate Similarity 0.7143 NPC322387
Intermediate Similarity 0.7143 NPC1986
Intermediate Similarity 0.7128 NPC328178
Intermediate Similarity 0.7083 NPC146703
Intermediate Similarity 0.708 NPC205652
Intermediate Similarity 0.7059 NPC471309
Intermediate Similarity 0.7041 NPC474211
Intermediate Similarity 0.703 NPC245259
Intermediate Similarity 0.701 NPC168855
Intermediate Similarity 0.7 NPC208302
Remote Similarity 0.6979 NPC121478
Remote Similarity 0.6979 NPC73637
Remote Similarity 0.6961 NPC323164
Remote Similarity 0.6947 NPC309279
Remote Similarity 0.6939 NPC474354
Remote Similarity 0.6931 NPC274455
Remote Similarity 0.6931 NPC70940
Remote Similarity 0.6931 NPC86670
Remote Similarity 0.693 NPC33742
Remote Similarity 0.693 NPC118202
Remote Similarity 0.6907 NPC172984
Remote Similarity 0.6907 NPC285773
Remote Similarity 0.6907 NPC477770
Remote Similarity 0.69 NPC262393
Remote Similarity 0.69 NPC12429
Remote Similarity 0.69 NPC329064
Remote Similarity 0.6887 NPC12730
Remote Similarity 0.6881 NPC211551
Remote Similarity 0.687 NPC235421
Remote Similarity 0.6869 NPC93843
Remote Similarity 0.6869 NPC243166
Remote Similarity 0.6863 NPC79917
Remote Similarity 0.686 NPC474926
Remote Similarity 0.6852 NPC471317
Remote Similarity 0.6842 NPC170484
Remote Similarity 0.6837 NPC304538
Remote Similarity 0.6837 NPC95429
Remote Similarity 0.6832 NPC1793
Remote Similarity 0.6818 NPC327481
Remote Similarity 0.6804 NPC103326
Remote Similarity 0.6804 NPC329319
Remote Similarity 0.6804 NPC87299
Remote Similarity 0.6804 NPC99394
Remote Similarity 0.6804 NPC14326
Remote Similarity 0.6796 NPC306074
Remote Similarity 0.6792 NPC107619
Remote Similarity 0.6789 NPC113326
Remote Similarity 0.6789 NPC194390
Remote Similarity 0.6789 NPC88267
Remote Similarity 0.6789 NPC224610
Remote Similarity 0.6771 NPC164449
Remote Similarity 0.6771 NPC121800
Remote Similarity 0.6771 NPC127343
Remote Similarity 0.6771 NPC184030
Remote Similarity 0.6768 NPC99482
Remote Similarity 0.6768 NPC3210
Remote Similarity 0.6735 NPC44830
Remote Similarity 0.6731 NPC55903
Remote Similarity 0.6729 NPC92730
Remote Similarity 0.6726 NPC474149
Remote Similarity 0.6721 NPC325013
Remote Similarity 0.6701 NPC117180
Remote Similarity 0.6699 NPC86987
Remote Similarity 0.6699 NPC220596
Remote Similarity 0.6697 NPC202613
Remote Similarity 0.6697 NPC164859
Remote Similarity 0.6697 NPC178902
Remote Similarity 0.6696 NPC153690
Remote Similarity 0.6667 NPC469457
Remote Similarity 0.6667 NPC29680
Remote Similarity 0.6667 NPC152415
Remote Similarity 0.6667 NPC199567
Remote Similarity 0.6667 NPC316301
Remote Similarity 0.6667 NPC172925
Remote Similarity 0.6667 NPC289769
Remote Similarity 0.6667 NPC82963
Remote Similarity 0.6667 NPC231705
Remote Similarity 0.6667 NPC27323
Remote Similarity 0.6638 NPC470550
Remote Similarity 0.6637 NPC258056
Remote Similarity 0.6636 NPC225464
Remote Similarity 0.6635 NPC155908
Remote Similarity 0.6634 NPC211237
Remote Similarity 0.6633 NPC103387
Remote Similarity 0.6633 NPC323103
Remote Similarity 0.6632 NPC66655
Remote Similarity 0.663 NPC155429
Remote Similarity 0.6612 NPC109151
Remote Similarity 0.661 NPC38458
Remote Similarity 0.661 NPC311737
Remote Similarity 0.6585 NPC474479
Remote Similarity 0.6585 NPC472414
Remote Similarity 0.6579 NPC319579
Remote Similarity 0.6577 NPC471186
Remote Similarity 0.6566 NPC288903
Remote Similarity 0.6566 NPC270507
Remote Similarity 0.6557 NPC472415
Remote Similarity 0.6552 NPC35850
Remote Similarity 0.6552 NPC276949
Remote Similarity 0.6545 NPC471310
Remote Similarity 0.6545 NPC178681
Remote Similarity 0.6545 NPC19856
Remote Similarity 0.6535 NPC203076
Remote Similarity 0.6525 NPC470544
Remote Similarity 0.6522 NPC227553
Remote Similarity 0.6518 NPC142326
Remote Similarity 0.6518 NPC94751
Remote Similarity 0.6518 NPC130898
Remote Similarity 0.6518 NPC191215
Remote Similarity 0.6518 NPC474804
Remote Similarity 0.6518 NPC474973
Remote Similarity 0.6518 NPC274089
Remote Similarity 0.6514 NPC264728
Remote Similarity 0.6514 NPC225079
Remote Similarity 0.6514 NPC133809
Remote Similarity 0.6514 NPC289117
Remote Similarity 0.6514 NPC128248
Remote Similarity 0.6514 NPC136810
Remote Similarity 0.65 NPC267704
Remote Similarity 0.6491 NPC158854
Remote Similarity 0.6481 NPC315921
Remote Similarity 0.6481 NPC120393
Remote Similarity 0.6476 NPC128645
Remote Similarity 0.6476 NPC45040
Remote Similarity 0.6476 NPC304541
Remote Similarity 0.6476 NPC314690
Remote Similarity 0.6471 NPC473031
Remote Similarity 0.6471 NPC470545
Remote Similarity 0.6466 NPC474584
Remote Similarity 0.6465 NPC475199
Remote Similarity 0.6465 NPC283012
Remote Similarity 0.646 NPC142297
Remote Similarity 0.6449 NPC144682
Remote Similarity 0.6449 NPC222146
Remote Similarity 0.6449 NPC469893
Remote Similarity 0.6449 NPC26244
Remote Similarity 0.6444 NPC178527
Remote Similarity 0.6442 NPC318325
Remote Similarity 0.6442 NPC123273
Remote Similarity 0.6442 NPC258219
Remote Similarity 0.6442 NPC242240
Remote Similarity 0.6441 NPC188010
Remote Similarity 0.6441 NPC317254
Remote Similarity 0.6436 NPC475710
Remote Similarity 0.6436 NPC95965
Remote Similarity 0.6436 NPC294134
Remote Similarity 0.6435 NPC323007
Remote Similarity 0.6429 NPC71271
Remote Similarity 0.6429 NPC143516
Remote Similarity 0.6422 NPC252821
Remote Similarity 0.6422 NPC54647
Remote Similarity 0.6422 NPC299762
Remote Similarity 0.6422 NPC33675
Remote Similarity 0.6422 NPC122005
Remote Similarity 0.6417 NPC470546
Remote Similarity 0.6417 NPC310467
Remote Similarity 0.6415 NPC23453
Remote Similarity 0.6415 NPC271440
Remote Similarity 0.6408 NPC407
Remote Similarity 0.6408 NPC23167
Remote Similarity 0.6408 NPC477704
Remote Similarity 0.6408 NPC477693
Remote Similarity 0.6408 NPC307235
Remote Similarity 0.6404 NPC182549
Remote Similarity 0.6404 NPC96224
Remote Similarity 0.6404 NPC24101
Remote Similarity 0.6404 NPC114741
Remote Similarity 0.6396 NPC329556

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  231.08
ALogP  -1.8014
MLogP  2.23
XLogP  3.761
HDA  5
HBD  1
Rotatable Bonds  5
TPSA  85.08
RO5 Violation  0