Drug Information

Drug ID:  NPD9508
Drug Name:  Aminomethylbenzoic Acid
Molecular Formula:  C8H9NO2
Canonical SMILES:  NCc1ccc(cc1)C(=O)O
Standard InCHI:  InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
Standard InCHIKey:  QCTBMLYLENLHLA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9508

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 0.8558 NPC253423
Intermediate Similarity 0.8462 NPC61944
Intermediate Similarity 0.8396 NPC217621
Intermediate Similarity 0.8241 NPC304873
Intermediate Similarity 0.8241 NPC25458
Intermediate Similarity 0.8155 NPC62765
Intermediate Similarity 0.8051 NPC229353
Intermediate Similarity 0.8018 NPC105899
Intermediate Similarity 0.7963 NPC229242
Intermediate Similarity 0.7917 NPC150323
Intermediate Similarity 0.7917 NPC130931
Intermediate Similarity 0.7876 NPC249811
Intermediate Similarity 0.7838 NPC255676
Intermediate Similarity 0.7807 NPC318327
Intermediate Similarity 0.7767 NPC318107
Intermediate Similarity 0.7748 NPC284477
Intermediate Similarity 0.7727 NPC203925
Intermediate Similarity 0.7727 NPC228435
Intermediate Similarity 0.7706 NPC293628
Intermediate Similarity 0.7706 NPC122493
Intermediate Similarity 0.7706 NPC10781
Intermediate Similarity 0.7706 NPC324569
Intermediate Similarity 0.7674 NPC253476
Intermediate Similarity 0.7658 NPC70624
Intermediate Similarity 0.7658 NPC282895
Intermediate Similarity 0.7647 NPC160179
Intermediate Similarity 0.7607 NPC66208
Intermediate Similarity 0.76 NPC205946
Intermediate Similarity 0.7593 NPC261181
Intermediate Similarity 0.7589 NPC188895
Intermediate Similarity 0.7583 NPC106551
Intermediate Similarity 0.7583 NPC281686
Intermediate Similarity 0.7583 NPC188867
Intermediate Similarity 0.7537 NPC13696
Intermediate Similarity 0.7523 NPC130398
Intermediate Similarity 0.7463 NPC43477
Intermediate Similarity 0.7444 NPC238412
Intermediate Similarity 0.7442 NPC314098
Intermediate Similarity 0.7417 NPC186933
Intermediate Similarity 0.7407 NPC110704
Intermediate Similarity 0.7398 NPC239697
Intermediate Similarity 0.7387 NPC276775
Intermediate Similarity 0.7387 NPC249912
Intermediate Similarity 0.7387 NPC92754
Intermediate Similarity 0.7381 NPC226794
Intermediate Similarity 0.7368 NPC164859
Intermediate Similarity 0.7368 NPC291426
Intermediate Similarity 0.735 NPC85493
Intermediate Similarity 0.7344 NPC72473
Intermediate Similarity 0.7344 NPC307437
Intermediate Similarity 0.7344 NPC58827
Intermediate Similarity 0.7328 NPC187913
Intermediate Similarity 0.7321 NPC78701
Intermediate Similarity 0.7321 NPC35448
Intermediate Similarity 0.7321 NPC225060
Intermediate Similarity 0.7317 NPC317784
Intermediate Similarity 0.7317 NPC142638
Intermediate Similarity 0.7308 NPC285773
Intermediate Similarity 0.7304 NPC324786
Intermediate Similarity 0.7295 NPC158157
Intermediate Similarity 0.7273 NPC476357
Intermediate Similarity 0.7266 NPC314278
Intermediate Similarity 0.7257 NPC118343
Intermediate Similarity 0.7257 NPC146351
Intermediate Similarity 0.7257 NPC325497
Intermediate Similarity 0.7241 NPC67043
Intermediate Similarity 0.7241 NPC476198
Intermediate Similarity 0.7236 NPC160199
Intermediate Similarity 0.7227 NPC476003
Intermediate Similarity 0.7227 NPC260818
Intermediate Similarity 0.7227 NPC474057
Intermediate Similarity 0.7222 NPC27581
Intermediate Similarity 0.7207 NPC20142
Intermediate Similarity 0.7207 NPC215351
Intermediate Similarity 0.7193 NPC42211
Intermediate Similarity 0.7185 NPC181527
Intermediate Similarity 0.7179 NPC184658
Intermediate Similarity 0.7168 NPC175852
Intermediate Similarity 0.7168 NPC160548
Intermediate Similarity 0.7168 NPC210529
Intermediate Similarity 0.7167 NPC321852
Intermediate Similarity 0.7167 NPC158282
Intermediate Similarity 0.7163 NPC241392
Intermediate Similarity 0.7156 NPC70940
Intermediate Similarity 0.7156 NPC274455
Intermediate Similarity 0.7156 NPC86670
Intermediate Similarity 0.7155 NPC249067
Intermediate Similarity 0.7154 NPC122235
Intermediate Similarity 0.7143 NPC3371
Intermediate Similarity 0.7143 NPC326079
Intermediate Similarity 0.7132 NPC242933
Intermediate Similarity 0.7131 NPC81808
Intermediate Similarity 0.713 NPC329064
Intermediate Similarity 0.712 NPC472708
Intermediate Similarity 0.7119 NPC29883
Intermediate Similarity 0.7119 NPC211439
Intermediate Similarity 0.7119 NPC34715
Intermediate Similarity 0.7117 NPC291070
Intermediate Similarity 0.7117 NPC246757
Intermediate Similarity 0.7111 NPC43218
Intermediate Similarity 0.7105 NPC12730
Intermediate Similarity 0.709 NPC173295
Intermediate Similarity 0.7071 NPC259678
Intermediate Similarity 0.7069 NPC329556
Intermediate Similarity 0.7069 NPC474365
Intermediate Similarity 0.7069 NPC301943
Intermediate Similarity 0.7059 NPC100551
Intermediate Similarity 0.7049 NPC196673
Intermediate Similarity 0.7049 NPC153053
Intermediate Similarity 0.7049 NPC211421
Intermediate Similarity 0.7043 NPC29601
Intermediate Similarity 0.7043 NPC52472
Intermediate Similarity 0.7037 NPC322387
Intermediate Similarity 0.7025 NPC474314
Intermediate Similarity 0.7023 NPC16031
Intermediate Similarity 0.7023 NPC161593
Intermediate Similarity 0.7023 NPC145888
Intermediate Similarity 0.7019 NPC127343
Intermediate Similarity 0.7018 NPC164514
Intermediate Similarity 0.7018 NPC290515
Intermediate Similarity 0.7018 NPC108606
Intermediate Similarity 0.7018 NPC226096
Intermediate Similarity 0.7018 NPC303611
Intermediate Similarity 0.7009 NPC114594
Intermediate Similarity 0.7009 NPC31786
Intermediate Similarity 0.7008 NPC165197
Intermediate Similarity 0.7 NPC216122
Remote Similarity 0.6992 NPC306740
Remote Similarity 0.6985 NPC159722
Remote Similarity 0.6985 NPC316574
Remote Similarity 0.6984 NPC319950
Remote Similarity 0.6983 NPC45613
Remote Similarity 0.6977 NPC285394
Remote Similarity 0.6975 NPC226699
Remote Similarity 0.6975 NPC141523
Remote Similarity 0.6967 NPC272524
Remote Similarity 0.696 NPC240664
Remote Similarity 0.6957 NPC245561
Remote Similarity 0.6953 NPC25168
Remote Similarity 0.6953 NPC26285
Remote Similarity 0.6953 NPC269923
Remote Similarity 0.6953 NPC167323
Remote Similarity 0.6949 NPC209632
Remote Similarity 0.6949 NPC269457
Remote Similarity 0.6942 NPC313981
Remote Similarity 0.6942 NPC319579
Remote Similarity 0.6935 NPC161304
Remote Similarity 0.6934 NPC319645
Remote Similarity 0.6923 NPC89886
Remote Similarity 0.6923 NPC160382
Remote Similarity 0.6923 NPC202613
Remote Similarity 0.6923 NPC68055
Remote Similarity 0.6923 NPC60679
Remote Similarity 0.6923 NPC13426
Remote Similarity 0.6923 NPC471317
Remote Similarity 0.6917 NPC224584
Remote Similarity 0.6916 NPC44546
Remote Similarity 0.6911 NPC474363
Remote Similarity 0.6911 NPC237366
Remote Similarity 0.6899 NPC297193
Remote Similarity 0.6897 NPC473325
Remote Similarity 0.6891 NPC6984
Remote Similarity 0.6891 NPC30594
Remote Similarity 0.6891 NPC37622
Remote Similarity 0.6891 NPC317592
Remote Similarity 0.6891 NPC37914
Remote Similarity 0.6891 NPC327481
Remote Similarity 0.6891 NPC119271
Remote Similarity 0.6885 NPC329011
Remote Similarity 0.6884 NPC314252
Remote Similarity 0.6884 NPC181526
Remote Similarity 0.688 NPC128825
Remote Similarity 0.688 NPC131192
Remote Similarity 0.686 NPC95172
Remote Similarity 0.6855 NPC274839
Remote Similarity 0.6852 NPC95965
Remote Similarity 0.6846 NPC85511
Remote Similarity 0.6842 NPC257182
Remote Similarity 0.6842 NPC325651
Remote Similarity 0.6842 NPC477432
Remote Similarity 0.6842 NPC246679
Remote Similarity 0.6838 NPC318154
Remote Similarity 0.6838 NPC327226
Remote Similarity 0.6833 NPC56493
Remote Similarity 0.6831 NPC17760
Remote Similarity 0.6829 NPC128368
Remote Similarity 0.6829 NPC474584
Remote Similarity 0.6827 NPC50192
Remote Similarity 0.6825 NPC125252
Remote Similarity 0.6822 NPC142577
Remote Similarity 0.6822 NPC44830
Remote Similarity 0.6822 NPC288903
Remote Similarity 0.6818 NPC305717
Remote Similarity 0.6815 NPC88667
Remote Similarity 0.6812 NPC471316
Remote Similarity 0.681 NPC125732
Remote Similarity 0.6807 NPC163734
Remote Similarity 0.6807 NPC13495
Remote Similarity 0.6803 NPC475002
Remote Similarity 0.6803 NPC95126

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  151.06
ALogP  -0.9781
MLogP  2.01
XLogP  0.946
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  63.32
RO5 Violation  0