Drug Information

Drug ID:  NPD9256
Drug Name:  Ammonium Benzoate
Molecular Formula:  C7H6O2.H3N
Canonical SMILES:  OC(=O)c1ccccc1.N
Standard InCHI:  InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3
Standard InCHIKey:  VWSRWGFGAAKTQG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9256

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 1.0 NPC62765
High Similarity 0.9524 NPC318107
High Similarity 0.9438 NPC61944
High Similarity 0.9333 NPC253423
High Similarity 0.9231 NPC229242
High Similarity 0.913 NPC217621
High Similarity 0.913 NPC228435
High Similarity 0.9032 NPC282895
High Similarity 0.8936 NPC304873
High Similarity 0.8936 NPC284477
High Similarity 0.8936 NPC25458
High Similarity 0.8842 NPC255676
High Similarity 0.8842 NPC291426
High Similarity 0.8791 NPC261181
High Similarity 0.8778 NPC110704
High Similarity 0.875 NPC324786
High Similarity 0.8696 NPC130398
High Similarity 0.866 NPC105899
High Similarity 0.8571 NPC184658
High Similarity 0.8571 NPC187913
High Similarity 0.8511 NPC249912
High Similarity 0.8511 NPC276775
High Similarity 0.8511 NPC92754
High Similarity 0.8506 NPC285773
Intermediate Similarity 0.8485 NPC249811
Intermediate Similarity 0.8485 NPC29883
Intermediate Similarity 0.8421 NPC78701
Intermediate Similarity 0.8421 NPC225060
Intermediate Similarity 0.8421 NPC35448
Intermediate Similarity 0.84 NPC318327
Intermediate Similarity 0.84 NPC100551
Intermediate Similarity 0.84 NPC85493
Intermediate Similarity 0.8333 NPC146351
Intermediate Similarity 0.8333 NPC118343
Intermediate Similarity 0.8333 NPC203925
Intermediate Similarity 0.8333 NPC325497
Intermediate Similarity 0.8317 NPC216122
Intermediate Similarity 0.8247 NPC70624
Intermediate Similarity 0.8247 NPC42211
Intermediate Similarity 0.8235 NPC260818
Intermediate Similarity 0.8235 NPC476003
Intermediate Similarity 0.8229 NPC210529
Intermediate Similarity 0.8229 NPC160548
Intermediate Similarity 0.8229 NPC175852
Intermediate Similarity 0.8182 NPC249067
Intermediate Similarity 0.8163 NPC188895
Intermediate Similarity 0.8163 NPC45613
Intermediate Similarity 0.8161 NPC127343
Intermediate Similarity 0.8155 NPC66208
Intermediate Similarity 0.8155 NPC321852
Intermediate Similarity 0.8155 NPC158282
Intermediate Similarity 0.8132 NPC322387
Intermediate Similarity 0.8081 NPC474365
Intermediate Similarity 0.8081 NPC301943
Intermediate Similarity 0.8081 NPC89886
Intermediate Similarity 0.8081 NPC60679
Intermediate Similarity 0.8061 NPC52472
Intermediate Similarity 0.8043 NPC329064
Intermediate Similarity 0.8 NPC237366
Intermediate Similarity 0.8 NPC211421
Intermediate Similarity 0.8 NPC31786
Intermediate Similarity 0.8 NPC153053
Intermediate Similarity 0.8 NPC44546
Intermediate Similarity 0.8 NPC114594
Intermediate Similarity 0.7981 NPC474314
Intermediate Similarity 0.7959 NPC245561
Intermediate Similarity 0.7941 NPC226699
Intermediate Similarity 0.7941 NPC141523
Intermediate Similarity 0.7941 NPC211439
Intermediate Similarity 0.7941 NPC34715
Intermediate Similarity 0.7941 NPC303264
Intermediate Similarity 0.7925 NPC186933
Intermediate Similarity 0.7925 NPC306740
Intermediate Similarity 0.7925 NPC81808
Intermediate Similarity 0.7921 NPC209632
Intermediate Similarity 0.7921 NPC163734
Intermediate Similarity 0.7921 NPC219913
Intermediate Similarity 0.7921 NPC269457
Intermediate Similarity 0.7912 NPC95965
Intermediate Similarity 0.7905 NPC272524
Intermediate Similarity 0.79 NPC13426
Intermediate Similarity 0.79 NPC160382
Intermediate Similarity 0.79 NPC329556
Intermediate Similarity 0.7889 NPC288903
Intermediate Similarity 0.7889 NPC44830
Intermediate Similarity 0.7872 NPC86670
Intermediate Similarity 0.7872 NPC70940
Intermediate Similarity 0.7872 NPC274455
Intermediate Similarity 0.7864 NPC224584
Intermediate Similarity 0.7843 NPC37622
Intermediate Similarity 0.7843 NPC30594
Intermediate Similarity 0.7843 NPC119271
Intermediate Similarity 0.7843 NPC6984
Intermediate Similarity 0.7835 NPC246679
Intermediate Similarity 0.783 NPC223004
Intermediate Similarity 0.783 NPC98543
Intermediate Similarity 0.783 NPC474363
Intermediate Similarity 0.7791 NPC32203
Intermediate Similarity 0.7791 NPC206800
Intermediate Similarity 0.7788 NPC95172
Intermediate Similarity 0.7778 NPC158157
Intermediate Similarity 0.7778 NPC312800
Intermediate Similarity 0.7778 NPC128825
Intermediate Similarity 0.7778 NPC131192
Intermediate Similarity 0.7767 NPC56493
Intermediate Similarity 0.7766 NPC173443
Intermediate Similarity 0.7757 NPC476357
Intermediate Similarity 0.7755 NPC289201
Intermediate Similarity 0.7755 NPC156021
Intermediate Similarity 0.7745 NPC13495
Intermediate Similarity 0.7742 NPC194326
Intermediate Similarity 0.7732 NPC32977
Intermediate Similarity 0.7732 NPC81010
Intermediate Similarity 0.7717 NPC294134
Intermediate Similarity 0.7714 NPC474057
Intermediate Similarity 0.7706 NPC240664
Intermediate Similarity 0.7706 NPC160199
Intermediate Similarity 0.7692 NPC99846
Intermediate Similarity 0.7692 NPC10251
Intermediate Similarity 0.7692 NPC474364
Intermediate Similarity 0.7692 NPC269023
Intermediate Similarity 0.7692 NPC17417
Intermediate Similarity 0.7692 NPC83628
Intermediate Similarity 0.7692 NPC17525
Intermediate Similarity 0.7692 NPC265407
Intermediate Similarity 0.7692 NPC469636
Intermediate Similarity 0.767 NPC317592
Intermediate Similarity 0.7653 NPC257182
Intermediate Similarity 0.7642 NPC114682
Intermediate Similarity 0.7642 NPC212718
Intermediate Similarity 0.7636 NPC229353
Intermediate Similarity 0.7636 NPC161943
Intermediate Similarity 0.7636 NPC273282
Intermediate Similarity 0.7636 NPC94298
Intermediate Similarity 0.7636 NPC27633
Intermediate Similarity 0.7636 NPC241089
Intermediate Similarity 0.7636 NPC474890
Intermediate Similarity 0.7636 NPC94637
Intermediate Similarity 0.7624 NPC320891
Intermediate Similarity 0.7619 NPC214067
Intermediate Similarity 0.7619 NPC174099
Intermediate Similarity 0.7619 NPC251854
Intermediate Similarity 0.7619 NPC196246
Intermediate Similarity 0.7619 NPC93084
Intermediate Similarity 0.7615 NPC83718
Intermediate Similarity 0.7614 NPC66655
Intermediate Similarity 0.7604 NPC317645
Intermediate Similarity 0.76 NPC280869
Intermediate Similarity 0.7596 NPC156648
Intermediate Similarity 0.7593 NPC474685
Intermediate Similarity 0.7576 NPC270654
Intermediate Similarity 0.757 NPC17693
Intermediate Similarity 0.7568 NPC156654
Intermediate Similarity 0.7568 NPC61779
Intermediate Similarity 0.7568 NPC90522
Intermediate Similarity 0.7568 NPC328459
Intermediate Similarity 0.7568 NPC472708
Intermediate Similarity 0.7553 NPC89377
Intermediate Similarity 0.7551 NPC172925
Intermediate Similarity 0.7547 NPC474157
Intermediate Similarity 0.7547 NPC1082
Intermediate Similarity 0.7547 NPC210089
Intermediate Similarity 0.7547 NPC167504
Intermediate Similarity 0.7547 NPC116842
Intermediate Similarity 0.7547 NPC305912
Intermediate Similarity 0.7547 NPC243355
Intermediate Similarity 0.7545 NPC125252
Intermediate Similarity 0.7528 NPC50192
Intermediate Similarity 0.7525 NPC473325
Intermediate Similarity 0.75 NPC78500
Intermediate Similarity 0.75 NPC29989
Intermediate Similarity 0.75 NPC242136
Intermediate Similarity 0.75 NPC196673
Intermediate Similarity 0.75 NPC95178
Intermediate Similarity 0.75 NPC72977
Intermediate Similarity 0.75 NPC150323
Intermediate Similarity 0.75 NPC260000
Intermediate Similarity 0.75 NPC260837
Intermediate Similarity 0.75 NPC233282
Intermediate Similarity 0.75 NPC130931
Intermediate Similarity 0.75 NPC11824
Intermediate Similarity 0.75 NPC69332
Intermediate Similarity 0.7477 NPC268388
Intermediate Similarity 0.7477 NPC79496
Intermediate Similarity 0.7477 NPC270699
Intermediate Similarity 0.7477 NPC82899
Intermediate Similarity 0.7476 NPC329282
Intermediate Similarity 0.7451 NPC244427
Intermediate Similarity 0.7451 NPC222390
Intermediate Similarity 0.7444 NPC300205
Intermediate Similarity 0.7442 NPC155429
Intermediate Similarity 0.7434 NPC165197
Intermediate Similarity 0.7431 NPC163154
Intermediate Similarity 0.7423 NPC119631
Intermediate Similarity 0.7416 NPC245966
Intermediate Similarity 0.7411 NPC233165
Intermediate Similarity 0.7411 NPC184579
Intermediate Similarity 0.7407 NPC128368
Intermediate Similarity 0.7407 NPC231717
Intermediate Similarity 0.7407 NPC474176

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  122.04
ALogP  -0.2398
MLogP  2.01
XLogP  2.666
HDA  2
HBD  1
Rotatable Bonds  2
TPSA  37.3
RO5 Violation  0