Drug Information

Drug ID:  NPD2199
Drug Name:  Hexylcaine
Molecular Formula:  C16H23NO2
Canonical SMILES:  CC(OC(=O)c1ccccc1)CNC1CCCCC1
Standard InCHI:  InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
Standard InCHIKey:  DKLKMKYDWHYZTD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2199

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 0.8629 NPC26285
Intermediate Similarity 0.8017 NPC24777
Intermediate Similarity 0.7883 NPC281104
Intermediate Similarity 0.7826 NPC319645
Intermediate Similarity 0.7815 NPC474365
Intermediate Similarity 0.7815 NPC301943
Intermediate Similarity 0.7778 NPC35448
Intermediate Similarity 0.7778 NPC78701
Intermediate Similarity 0.7712 NPC325497
Intermediate Similarity 0.7712 NPC146351
Intermediate Similarity 0.7712 NPC118343
Intermediate Similarity 0.7692 NPC92754
Intermediate Similarity 0.7692 NPC276775
Intermediate Similarity 0.7692 NPC249912
Intermediate Similarity 0.7686 NPC269457
Intermediate Similarity 0.768 NPC128368
Intermediate Similarity 0.7652 NPC285394
Intermediate Similarity 0.7647 NPC42211
Intermediate Similarity 0.7642 NPC469636
Intermediate Similarity 0.7627 NPC225060
Intermediate Similarity 0.7534 NPC214239
Intermediate Similarity 0.7521 NPC130398
Intermediate Similarity 0.752 NPC476003
Intermediate Similarity 0.752 NPC474157
Intermediate Similarity 0.75 NPC474364
Intermediate Similarity 0.75 NPC70624
Intermediate Similarity 0.7407 NPC65310
Intermediate Similarity 0.7386 NPC158900
Intermediate Similarity 0.736 NPC83628
Intermediate Similarity 0.736 NPC17417
Intermediate Similarity 0.736 NPC10251
Intermediate Similarity 0.736 NPC265407
Intermediate Similarity 0.7357 NPC173295
Intermediate Similarity 0.7355 NPC316797
Intermediate Similarity 0.7344 NPC307651
Intermediate Similarity 0.7323 NPC269340
Intermediate Similarity 0.7323 NPC158282
Intermediate Similarity 0.7302 NPC251854
Intermediate Similarity 0.7302 NPC196246
Intermediate Similarity 0.7302 NPC214067
Intermediate Similarity 0.7302 NPC93084
Intermediate Similarity 0.7299 NPC122235
Intermediate Similarity 0.7295 NPC188895
Intermediate Similarity 0.7287 NPC210092
Intermediate Similarity 0.728 NPC56493
Intermediate Similarity 0.7273 NPC203925
Intermediate Similarity 0.7266 NPC272524
Intermediate Similarity 0.7266 NPC161611
Intermediate Similarity 0.7258 NPC67043
Intermediate Similarity 0.7258 NPC209632
Intermediate Similarity 0.7252 NPC469574
Intermediate Similarity 0.7244 NPC1082
Intermediate Similarity 0.7244 NPC305912
Intermediate Similarity 0.7244 NPC210089
Intermediate Similarity 0.7218 NPC473243
Intermediate Similarity 0.7209 NPC308744
Intermediate Similarity 0.7209 NPC474363
Intermediate Similarity 0.7206 NPC474847
Intermediate Similarity 0.72 NPC119271
Intermediate Similarity 0.7188 NPC270699
Intermediate Similarity 0.7188 NPC82899
Intermediate Similarity 0.7177 NPC114594
Intermediate Similarity 0.7177 NPC226778
Intermediate Similarity 0.7177 NPC147000
Intermediate Similarity 0.7177 NPC304761
Intermediate Similarity 0.7177 NPC150254
Intermediate Similarity 0.7174 NPC311753
Intermediate Similarity 0.7165 NPC158854
Intermediate Similarity 0.7165 NPC174099
Intermediate Similarity 0.7154 NPC474685
Intermediate Similarity 0.7133 NPC314223
Intermediate Similarity 0.7132 NPC474176
Intermediate Similarity 0.7132 NPC226794
Intermediate Similarity 0.7119 NPC119631
Intermediate Similarity 0.7111 NPC317474
Intermediate Similarity 0.7111 NPC84281
Intermediate Similarity 0.7111 NPC169485
Intermediate Similarity 0.7111 NPC160493
Intermediate Similarity 0.7111 NPC291027
Intermediate Similarity 0.7111 NPC213126
Intermediate Similarity 0.7107 NPC270654
Intermediate Similarity 0.7099 NPC149691
Intermediate Similarity 0.7097 NPC60679
Intermediate Similarity 0.7097 NPC89886
Intermediate Similarity 0.7095 NPC17760
Intermediate Similarity 0.7094 NPC173443
Intermediate Similarity 0.709 NPC476183
Intermediate Similarity 0.7087 NPC269023
Intermediate Similarity 0.7087 NPC99846
Intermediate Similarity 0.708 NPC4974
Intermediate Similarity 0.7077 NPC153053
Intermediate Similarity 0.7063 NPC37622
Intermediate Similarity 0.7063 NPC30594
Intermediate Similarity 0.7055 NPC204546
Intermediate Similarity 0.7054 NPC79496
Intermediate Similarity 0.7054 NPC474314
Intermediate Similarity 0.7054 NPC321852
Intermediate Similarity 0.7049 NPC322598
Intermediate Similarity 0.7042 NPC266425
Intermediate Similarity 0.704 NPC31786
Intermediate Similarity 0.7037 NPC50872
Intermediate Similarity 0.7037 NPC476281
Intermediate Similarity 0.7037 NPC476184
Intermediate Similarity 0.7029 NPC136453
Intermediate Similarity 0.7029 NPC124776
Intermediate Similarity 0.7016 NPC327226
Intermediate Similarity 0.7 NPC261181
Intermediate Similarity 0.7 NPC69496
Remote Similarity 0.6993 NPC470441
Remote Similarity 0.6992 NPC45104
Remote Similarity 0.6984 NPC167336
Remote Similarity 0.6984 NPC476198
Remote Similarity 0.6978 NPC239990
Remote Similarity 0.6978 NPC89923
Remote Similarity 0.6978 NPC105114
Remote Similarity 0.6978 NPC152850
Remote Similarity 0.6978 NPC71933
Remote Similarity 0.6977 NPC167504
Remote Similarity 0.6977 NPC260818
Remote Similarity 0.6972 NPC245836
Remote Similarity 0.6972 NPC233910
Remote Similarity 0.697 NPC100353
Remote Similarity 0.6963 NPC190663
Remote Similarity 0.6957 NPC125053
Remote Similarity 0.6949 NPC220893
Remote Similarity 0.6934 NPC476278
Remote Similarity 0.6923 NPC89377
Remote Similarity 0.6917 NPC77273
Remote Similarity 0.6906 NPC275576
Remote Similarity 0.6891 NPC240108
Remote Similarity 0.6891 NPC213156
Remote Similarity 0.6884 NPC476260
Remote Similarity 0.6884 NPC476241
Remote Similarity 0.688 NPC45613
Remote Similarity 0.6879 NPC476750
Remote Similarity 0.6875 NPC474858
Remote Similarity 0.6871 NPC43477
Remote Similarity 0.6871 NPC329992
Remote Similarity 0.6864 NPC304760
Remote Similarity 0.686 NPC246757
Remote Similarity 0.686 NPC291070
Remote Similarity 0.6857 NPC169913
Remote Similarity 0.6857 NPC473220
Remote Similarity 0.6857 NPC199738
Remote Similarity 0.6857 NPC305717
Remote Similarity 0.6857 NPC210950
Remote Similarity 0.6857 NPC470753
Remote Similarity 0.6853 NPC470392
Remote Similarity 0.6846 NPC319579
Remote Similarity 0.6838 NPC80150
Remote Similarity 0.6838 NPC318107
Remote Similarity 0.6835 NPC476125
Remote Similarity 0.6835 NPC295664
Remote Similarity 0.6835 NPC472165
Remote Similarity 0.6835 NPC476179
Remote Similarity 0.6831 NPC157311
Remote Similarity 0.6829 NPC293628
Remote Similarity 0.6829 NPC122493
Remote Similarity 0.6829 NPC10781
Remote Similarity 0.6829 NPC324569
Remote Similarity 0.6822 NPC85493
Remote Similarity 0.6818 NPC477411
Remote Similarity 0.6813 NPC470971
Remote Similarity 0.6812 NPC35996
Remote Similarity 0.6809 NPC165726
Remote Similarity 0.6809 NPC213969
Remote Similarity 0.6807 NPC9822
Remote Similarity 0.6806 NPC253476
Remote Similarity 0.6806 NPC474473
Remote Similarity 0.68 NPC228400
Remote Similarity 0.68 NPC214200
Remote Similarity 0.68 NPC135121
Remote Similarity 0.6791 NPC106551
Remote Similarity 0.6791 NPC281686
Remote Similarity 0.6791 NPC188867
Remote Similarity 0.6786 NPC141739
Remote Similarity 0.6786 NPC320242
Remote Similarity 0.6786 NPC470765
Remote Similarity 0.6786 NPC476599
Remote Similarity 0.6786 NPC136112
Remote Similarity 0.6783 NPC8761
Remote Similarity 0.6783 NPC44805
Remote Similarity 0.6781 NPC77992
Remote Similarity 0.6779 NPC201244
Remote Similarity 0.6779 NPC477217
Remote Similarity 0.6774 NPC164514
Remote Similarity 0.6774 NPC108606
Remote Similarity 0.6774 NPC303611
Remote Similarity 0.6774 NPC226096
Remote Similarity 0.6774 NPC290515
Remote Similarity 0.6769 NPC65855
Remote Similarity 0.6769 NPC292758
Remote Similarity 0.6767 NPC474095
Remote Similarity 0.6767 NPC306740
Remote Similarity 0.6765 NPC90522
Remote Similarity 0.6765 NPC328459
Remote Similarity 0.6763 NPC328267
Remote Similarity 0.6761 NPC325651
Remote Similarity 0.6757 NPC57976
Remote Similarity 0.6752 NPC58616

Drug Structure

External Identifiers

TTD   DAP000506
DrugBank   DB00473
ChEMBL   CHEMBL1197
IUPHAR/BPS   7196
PharmaGKB   PA164746489
KEGG Drug  
PubChem CID   10770
ChEBI   34791
CAS Number  532-77-4

Drug Properties

Molecular Weight  261.17
ALogP  -1.9894
MLogP  2.89
XLogP  4.889
HDA  3
HBD  1
Rotatable Bonds  7
TPSA  38.33
RO5 Violation  0