NPASS drugs

Drug Information

Drug ID:	NPD1092
Drug Name:	Chloroprocaine Hydrochloride
Molecular Formula:	C13H19ClN2O2.ClH
Canonical SMILES:	CCN(CCOC(=O)c1ccc(cc1Cl)N)CC.Cl
Standard InCHI:	InChI=1S/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H
Standard InCHIKey:	SZKQYDBPUCZLRX-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1092

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.

Range	Similarity Score Range
0-0.1	159
0.1-0.2	1475
0.2-0.3	6500
0.3-0.4	8141
0.4-0.5	12303
0.5-0.6	2151
0.6-0.7	152
0.7-0.8	8
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	0

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	0.9021	NPC319645
Intermediate Similarity	0.7383	NPC226794
Intermediate Similarity	0.7347	NPC150323
Intermediate Similarity	0.732	NPC314098
Intermediate Similarity	0.7303	NPC122235
Intermediate Similarity	0.7244	NPC173295
Intermediate Similarity	0.7219	NPC205946
Intermediate Similarity	0.7152	NPC314223
Intermediate Similarity	0.7052	NPC470971
Remote Similarity	0.6957	NPC242933
Remote Similarity	0.6839	NPC322433
Remote Similarity	0.681	NPC43477
Remote Similarity	0.6755	NPC229353
Remote Similarity	0.675	NPC253476
Remote Similarity	0.6731	NPC314278
Remote Similarity	0.6688	NPC26285
Remote Similarity	0.6667	NPC130931
Remote Similarity	0.6646	NPC472243
Remote Similarity	0.659	NPC36836
Remote Similarity	0.659	NPC63370
Remote Similarity	0.6566	NPC472241
Remote Similarity	0.6561	NPC470343
Remote Similarity	0.6561	NPC472244
Remote Similarity	0.6552	NPC61013
Remote Similarity	0.6552	NPC123241
Remote Similarity	0.6533	NPC57051
Remote Similarity	0.6524	NPC287358
Remote Similarity	0.6524	NPC281104
Remote Similarity	0.6522	NPC288305
Remote Similarity	0.6514	NPC193410
Remote Similarity	0.6509	NPC259678
Remote Similarity	0.6497	NPC189116
Remote Similarity	0.6488	NPC190945
Remote Similarity	0.6483	NPC38262
Remote Similarity	0.6477	NPC248117
Remote Similarity	0.6471	NPC315829
Remote Similarity	0.6467	NPC301702
Remote Similarity	0.645	NPC472242
Remote Similarity	0.6441	NPC293458
Remote Similarity	0.6437	NPC161827
Remote Similarity	0.6398	NPC472245
Remote Similarity	0.6398	NPC159963
Remote Similarity	0.6392	NPC475691
Remote Similarity	0.6386	NPC181527
Remote Similarity	0.6384	NPC474058
Remote Similarity	0.6375	NPC58827
Remote Similarity	0.6375	NPC72473
Remote Similarity	0.6375	NPC307437
Remote Similarity	0.6364	NPC78701
Remote Similarity	0.6364	NPC35448
Remote Similarity	0.6359	NPC186669
Remote Similarity	0.6331	NPC308197
Remote Similarity	0.633	NPC322621
Remote Similarity	0.6328	NPC243673
Remote Similarity	0.6328	NPC148468
Remote Similarity	0.6328	NPC97380
Remote Similarity	0.6328	NPC63210
Remote Similarity	0.6328	NPC310403
Remote Similarity	0.6328	NPC263709
Remote Similarity	0.6319	NPC146351
Remote Similarity	0.6316	NPC478039
Remote Similarity	0.6298	NPC224970
Remote Similarity	0.6298	NPC223595
Remote Similarity	0.6298	NPC167724
Remote Similarity	0.6294	NPC249912
Remote Similarity	0.6294	NPC276775
Remote Similarity	0.6294	NPC92754
Remote Similarity	0.6294	NPC314186
Remote Similarity	0.6282	NPC226143
Remote Similarity	0.6263	NPC14994
Remote Similarity	0.6259	NPC324786
Remote Similarity	0.625	NPC225060
Remote Similarity	0.625	NPC25401
Remote Similarity	0.6243	NPC472115
Remote Similarity	0.6243	NPC472114
Remote Similarity	0.6237	NPC321211
Remote Similarity	0.6235	NPC150863
Remote Similarity	0.623	NPC316405
Remote Similarity	0.6223	NPC470317
Remote Similarity	0.6216	NPC264482
Remote Similarity	0.6216	NPC203202
Remote Similarity	0.6211	NPC250476
Remote Similarity	0.6211	NPC160381
Remote Similarity	0.6196	NPC314431
Remote Similarity	0.6196	NPC280807
Remote Similarity	0.6196	NPC73280
Remote Similarity	0.619	NPC301943
Remote Similarity	0.619	NPC474365
Remote Similarity	0.619	NPC471742
Remote Similarity	0.6188	NPC470069
Remote Similarity	0.6188	NPC52059
Remote Similarity	0.618	NPC211525
Remote Similarity	0.618	NPC153694
Remote Similarity	0.6166	NPC22476
Remote Similarity	0.6164	NPC70624
Remote Similarity	0.6159	NPC231382
Remote Similarity	0.6158	NPC316141
Remote Similarity	0.6154	NPC135950
Remote Similarity	0.6154	NPC182131
Remote Similarity	0.6154	NPC130398
Remote Similarity	0.615	NPC6974
Remote Similarity	0.615	NPC99043
Remote Similarity	0.615	NPC218594
Remote Similarity	0.6149	NPC242000
Remote Similarity	0.6145	NPC36495
Remote Similarity	0.614	NPC267853
Remote Similarity	0.6139	NPC477999
Remote Similarity	0.6131	NPC159722
Remote Similarity	0.6129	NPC316411
Remote Similarity	0.6125	NPC474283
Remote Similarity	0.6125	NPC475692
Remote Similarity	0.6114	NPC5630
Remote Similarity	0.6114	NPC473329
Remote Similarity	0.6114	NPC214239
Remote Similarity	0.6111	NPC244897
Remote Similarity	0.6111	NPC123395
Remote Similarity	0.6108	NPC177261
Remote Similarity	0.6107	NPC476198
Remote Similarity	0.6105	NPC97584
Remote Similarity	0.6096	NPC118343
Remote Similarity	0.6096	NPC325497
Remote Similarity	0.6085	NPC197335
Remote Similarity	0.6082	NPC203628
Remote Similarity	0.6068	NPC118940
Remote Similarity	0.6065	NPC315062
Remote Similarity	0.6065	NPC113099
Remote Similarity	0.6061	NPC473247
Remote Similarity	0.6059	NPC314252
Remote Similarity	0.6059	NPC181526
Remote Similarity	0.6054	NPC249614
Remote Similarity	0.6054	NPC42211
Remote Similarity	0.6053	NPC314659
Remote Similarity	0.6053	NPC216122
Remote Similarity	0.605	NPC232600
Remote Similarity	0.6044	NPC313757
Remote Similarity	0.6042	NPC87391
Remote Similarity	0.6041	NPC303214
Remote Similarity	0.6036	NPC316574
Remote Similarity	0.6031	NPC313293
Remote Similarity	0.603	NPC103361
Remote Similarity	0.6029	NPC285192
Remote Similarity	0.6029	NPC473837
Remote Similarity	0.6026	NPC172170
Remote Similarity	0.6026	NPC56493
Remote Similarity	0.6023	NPC241392
Remote Similarity	0.6022	NPC191310
Remote Similarity	0.6022	NPC298851
Remote Similarity	0.6022	NPC21752
Remote Similarity	0.6022	NPC210415
Remote Similarity	0.6022	NPC27904
Remote Similarity	0.6022	NPC93653
Remote Similarity	0.6022	NPC276993
Remote Similarity	0.6022	NPC181138
Remote Similarity	0.6022	NPC293255
Remote Similarity	0.6014	NPC188895
Remote Similarity	0.6011	NPC299582
Remote Similarity	0.601	NPC189661
Remote Similarity	0.6	NPC269457
Remote Similarity	0.6	NPC477432
Remote Similarity	0.6	NPC194562
Remote Similarity	0.6	NPC192712
Remote Similarity	0.599	NPC49184
Remote Similarity	0.5989	NPC253667
Remote Similarity	0.5989	NPC35510
Remote Similarity	0.5989	NPC469726
Remote Similarity	0.5989	NPC329338
Remote Similarity	0.5987	NPC469636
Remote Similarity	0.5987	NPC10251
Remote Similarity	0.5987	NPC17417
Remote Similarity	0.5986	NPC203925
Remote Similarity	0.5978	NPC471652
Remote Similarity	0.5973	NPC291426
Remote Similarity	0.5968	NPC292265
Remote Similarity	0.5968	NPC318183
Remote Similarity	0.596	NPC119271
Remote Similarity	0.5957	NPC84347
Remote Similarity	0.5952	NPC471197
Remote Similarity	0.5952	NPC266425
Remote Similarity	0.5951	NPC474926
Remote Similarity	0.5951	NPC329567
Remote Similarity	0.5951	NPC330683
Remote Similarity	0.5949	NPC469489
Remote Similarity	0.5948	NPC214067
Remote Similarity	0.5948	NPC174099
Remote Similarity	0.5948	NPC93084
Remote Similarity	0.5948	NPC196246
Remote Similarity	0.5948	NPC251854
Remote Similarity	0.5948	NPC24777
Remote Similarity	0.5946	NPC470894
Remote Similarity	0.5939	NPC311753
Remote Similarity	0.5933	NPC477979
Remote Similarity	0.593	NPC316202
Remote Similarity	0.5928	NPC181928
Remote Similarity	0.5928	NPC232872
Remote Similarity	0.5928	NPC104712
Remote Similarity	0.5926	NPC14849
Remote Similarity	0.5924	NPC471198
Remote Similarity	0.592	NPC323798
Remote Similarity	0.5918	NPC28510
Remote Similarity	0.5916	NPC270301

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	270.11
ALogP	0.6451
MLogP	2.34
XLogP	2.119
HDA	4
HBD	1
Rotatable Bonds	11
TPSA	55.56
RO5 Violation	0