Drug Information

Drug ID:  NPD1801
Drug Name:  Tetracaine Hydrochloride
Molecular Formula:  C15H24N2O2.ClH
Canonical SMILES:  CCCCNc1ccc(cc1)C(=O)OCCN(C)C.Cl
Standard InCHI:  InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H
Standard InCHIKey:  PPWHTZKZQNXVAE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1801

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 0.9416 NPC319645
Intermediate Similarity 0.8392 NPC173295
Intermediate Similarity 0.8369 NPC314098
Intermediate Similarity 0.8224 NPC314223
Intermediate Similarity 0.8176 NPC470971
Intermediate Similarity 0.8041 NPC242933
Intermediate Similarity 0.7867 NPC43477
Intermediate Similarity 0.7823 NPC253476
Intermediate Similarity 0.7692 NPC226794
Intermediate Similarity 0.766 NPC150323
Intermediate Similarity 0.7603 NPC122235
Intermediate Similarity 0.7586 NPC322433
Intermediate Similarity 0.7582 NPC472241
Intermediate Similarity 0.7517 NPC205946
Intermediate Similarity 0.7516 NPC123241
Intermediate Similarity 0.7516 NPC61013
Intermediate Similarity 0.7469 NPC193410
Intermediate Similarity 0.7451 NPC472243
Intermediate Similarity 0.7436 NPC472242
Intermediate Similarity 0.7434 NPC287358
Intermediate Similarity 0.7423 NPC248117
Intermediate Similarity 0.741 NPC57051
Intermediate Similarity 0.7397 NPC472244
Intermediate Similarity 0.7397 NPC470343
Intermediate Similarity 0.7378 NPC293458
Intermediate Similarity 0.7283 NPC159963
Intermediate Similarity 0.7251 NPC186669
Intermediate Similarity 0.7225 NPC288305
Intermediate Similarity 0.7212 NPC474058
Intermediate Similarity 0.7202 NPC167724
Intermediate Similarity 0.7202 NPC223595
Intermediate Similarity 0.7202 NPC224970
Intermediate Similarity 0.72 NPC472245
Intermediate Similarity 0.7197 NPC308197
Intermediate Similarity 0.7134 NPC36836
Intermediate Similarity 0.7134 NPC63370
Intermediate Similarity 0.7119 NPC14994
Intermediate Similarity 0.7103 NPC226143
Intermediate Similarity 0.7102 NPC322621
Intermediate Similarity 0.7095 NPC25401
Intermediate Similarity 0.7093 NPC264482
Intermediate Similarity 0.7093 NPC203202
Intermediate Similarity 0.7079 NPC316405
Intermediate Similarity 0.7076 NPC73280
Intermediate Similarity 0.7075 NPC26285
Intermediate Similarity 0.7063 NPC478039
Intermediate Similarity 0.7062 NPC160381
Intermediate Similarity 0.7048 NPC36495
Intermediate Similarity 0.7044 NPC314186
Intermediate Similarity 0.7041 NPC472115
Intermediate Similarity 0.7041 NPC472114
Intermediate Similarity 0.7037 NPC473329
Intermediate Similarity 0.7034 NPC229353
Intermediate Similarity 0.702 NPC150863
Intermediate Similarity 0.7011 NPC6974
Intermediate Similarity 0.7011 NPC218594
Intermediate Similarity 0.7011 NPC321211
Intermediate Similarity 0.7011 NPC99043
Intermediate Similarity 0.7 NPC314278
Intermediate Similarity 0.7 NPC250476
Intermediate Similarity 0.7 NPC22476
Remote Similarity 0.6989 NPC470317
Remote Similarity 0.6987 NPC281104
Remote Similarity 0.6977 NPC177261
Remote Similarity 0.6975 NPC242000
Remote Similarity 0.6974 NPC280807
Remote Similarity 0.6974 NPC314431
Remote Similarity 0.6949 NPC97584
Remote Similarity 0.6949 NPC471742
Remote Similarity 0.6944 NPC5630
Remote Similarity 0.6941 NPC182131
Remote Similarity 0.6939 NPC130931
Remote Similarity 0.6932 NPC197335
Remote Similarity 0.6928 NPC231382
Remote Similarity 0.6923 NPC189116
Remote Similarity 0.6919 NPC103361
Remote Similarity 0.6919 NPC292265
Remote Similarity 0.6906 NPC203628
Remote Similarity 0.6895 NPC285192
Remote Similarity 0.6893 NPC314659
Remote Similarity 0.6872 NPC87391
Remote Similarity 0.6867 NPC161827
Remote Similarity 0.6863 NPC194562
Remote Similarity 0.6848 NPC303214
Remote Similarity 0.6845 NPC232600
Remote Similarity 0.6839 NPC118940
Remote Similarity 0.6839 NPC329338
Remote Similarity 0.6839 NPC469726
Remote Similarity 0.6832 NPC190945
Remote Similarity 0.6828 NPC123395
Remote Similarity 0.6824 NPC313757
Remote Similarity 0.6821 NPC249614
Remote Similarity 0.6816 NPC49184
Remote Similarity 0.6795 NPC316104
Remote Similarity 0.6795 NPC162417
Remote Similarity 0.6793 NPC135950
Remote Similarity 0.6786 NPC471197
Remote Similarity 0.6784 NPC299582
Remote Similarity 0.6782 NPC285622
Remote Similarity 0.6782 NPC191310
Remote Similarity 0.6765 NPC282339
Remote Similarity 0.6765 NPC99632
Remote Similarity 0.6763 NPC38262
Remote Similarity 0.6761 NPC14849
Remote Similarity 0.6758 NPC313293
Remote Similarity 0.6751 NPC471198
Remote Similarity 0.6748 NPC259678
Remote Similarity 0.6746 NPC97380
Remote Similarity 0.6746 NPC63210
Remote Similarity 0.6746 NPC243673
Remote Similarity 0.6746 NPC310403
Remote Similarity 0.6746 NPC263709
Remote Similarity 0.6746 NPC148468
Remote Similarity 0.6744 NPC214960
Remote Similarity 0.6744 NPC471652
Remote Similarity 0.6744 NPC279527
Remote Similarity 0.674 NPC181928
Remote Similarity 0.6732 NPC72473
Remote Similarity 0.6732 NPC307437
Remote Similarity 0.6732 NPC58827
Remote Similarity 0.6724 NPC318183
Remote Similarity 0.6723 NPC131450
Remote Similarity 0.6723 NPC147298
Remote Similarity 0.6723 NPC182057
Remote Similarity 0.6711 NPC179605
Remote Similarity 0.6711 NPC279385
Remote Similarity 0.6708 NPC301702
Remote Similarity 0.6707 NPC315829
Remote Similarity 0.6706 NPC27904
Remote Similarity 0.6706 NPC93653
Remote Similarity 0.6705 NPC84347
Remote Similarity 0.6684 NPC477979
Remote Similarity 0.6684 NPC100863
Remote Similarity 0.6667 NPC253667
Remote Similarity 0.6667 NPC257763
Remote Similarity 0.6667 NPC286871
Remote Similarity 0.6667 NPC83111
Remote Similarity 0.6667 NPC245916
Remote Similarity 0.6667 NPC103292
Remote Similarity 0.6667 NPC176983
Remote Similarity 0.6667 NPC478075
Remote Similarity 0.6667 NPC35510
Remote Similarity 0.6667 NPC471778
Remote Similarity 0.6667 NPC473298
Remote Similarity 0.665 NPC36405
Remote Similarity 0.6649 NPC132539
Remote Similarity 0.6649 NPC87714
Remote Similarity 0.6648 NPC248862
Remote Similarity 0.6648 NPC328611
Remote Similarity 0.6644 NPC291962
Remote Similarity 0.6644 NPC177684
Remote Similarity 0.6642 NPC78701
Remote Similarity 0.6642 NPC35448
Remote Similarity 0.6632 NPC329567
Remote Similarity 0.6632 NPC330683
Remote Similarity 0.663 NPC138370
Remote Similarity 0.6627 NPC144691
Remote Similarity 0.6625 NPC181527
Remote Similarity 0.6615 NPC195787
Remote Similarity 0.6615 NPC246140
Remote Similarity 0.6613 NPC198205
Remote Similarity 0.6613 NPC21483
Remote Similarity 0.6609 NPC470894
Remote Similarity 0.6607 NPC107287
Remote Similarity 0.66 NPC112373
Remote Similarity 0.66 NPC161956
Remote Similarity 0.66 NPC258531
Remote Similarity 0.6597 NPC207971
Remote Similarity 0.6596 NPC218733
Remote Similarity 0.6596 NPC476198
Remote Similarity 0.6596 NPC132874
Remote Similarity 0.6596 NPC265642
Remote Similarity 0.6596 NPC138615
Remote Similarity 0.6594 NPC146351
Remote Similarity 0.659 NPC52059
Remote Similarity 0.659 NPC470069
Remote Similarity 0.6588 NPC153694
Remote Similarity 0.6588 NPC211525
Remote Similarity 0.6583 NPC77777
Remote Similarity 0.6581 NPC311753
Remote Similarity 0.6576 NPC45389
Remote Similarity 0.6576 NPC469489
Remote Similarity 0.6576 NPC474059
Remote Similarity 0.6571 NPC472118
Remote Similarity 0.657 NPC199737
Remote Similarity 0.6569 NPC249912
Remote Similarity 0.6569 NPC92754
Remote Similarity 0.6569 NPC276775
Remote Similarity 0.6564 NPC478040
Remote Similarity 0.6562 NPC475147
Remote Similarity 0.6562 NPC268077
Remote Similarity 0.6557 NPC21425
Remote Similarity 0.6557 NPC473815
Remote Similarity 0.6545 NPC1464
Remote Similarity 0.6543 NPC471164
Remote Similarity 0.6543 NPC198390
Remote Similarity 0.6536 NPC192533
Remote Similarity 0.6533 NPC312645
Remote Similarity 0.6528 NPC24777
Remote Similarity 0.6527 NPC214239

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  264.18
ALogP  -0.7836
MLogP  2.67
XLogP  2.917
HDA  4
HBD  1
Rotatable Bonds  12
TPSA  41.57
RO5 Violation  0