NPASS drugs

Drug Information

Drug ID:	NPD1107
Drug Name:	Prilocaine Hydrochloride
Molecular Formula:	C13H20N2O.ClH
Canonical SMILES:	CCCNC(C(=Nc1ccccc1C)O)C.Cl
Standard InCHI:	InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H
Standard InCHIKey:	BJPJNTKRKALCPP-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1107

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	110
0.1-0.2	2238
0.2-0.3	11562
0.3-0.4	10937
0.4-0.5	3747
0.5-0.6	1748
0.6-0.7	504
0.7-0.8	43
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
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
Intermediate Similarity	0.8317	NPC78154
Intermediate Similarity	0.7638	NPC476685
Intermediate Similarity	0.7638	NPC476687
Intermediate Similarity	0.7638	NPC476689
Intermediate Similarity	0.7624	NPC15839
Intermediate Similarity	0.7561	NPC328683
Intermediate Similarity	0.7561	NPC283130
Intermediate Similarity	0.75	NPC178681
Intermediate Similarity	0.7426	NPC307456
Intermediate Similarity	0.7395	NPC205652
Intermediate Similarity	0.7395	NPC470550
Intermediate Similarity	0.7391	NPC37584
Intermediate Similarity	0.7333	NPC262295
Intermediate Similarity	0.7328	NPC164802
Intermediate Similarity	0.7264	NPC111233
Intermediate Similarity	0.7248	NPC476483
Intermediate Similarity	0.7213	NPC313449
Intermediate Similarity	0.7196	NPC470877
Intermediate Similarity	0.7193	NPC474430
Intermediate Similarity	0.7188	NPC476950
Intermediate Similarity	0.7179	NPC302790
Intermediate Similarity	0.7167	NPC314141
Intermediate Similarity	0.7153	NPC472103
Intermediate Similarity	0.713	NPC141139
Intermediate Similarity	0.713	NPC471307
Intermediate Similarity	0.713	NPC78041
Intermediate Similarity	0.713	NPC209764
Intermediate Similarity	0.713	NPC121872
Intermediate Similarity	0.713	NPC74936
Intermediate Similarity	0.713	NPC92689
Intermediate Similarity	0.713	NPC275467
Intermediate Similarity	0.713	NPC159178
Intermediate Similarity	0.7117	NPC471320
Intermediate Similarity	0.7117	NPC471319
Intermediate Similarity	0.7105	NPC291610
Intermediate Similarity	0.705	NPC314372
Intermediate Similarity	0.704	NPC317564
Intermediate Similarity	0.7027	NPC161972
Intermediate Similarity	0.7027	NPC108339
Intermediate Similarity	0.7027	NPC303045
Intermediate Similarity	0.7025	NPC296163
Intermediate Similarity	0.7016	NPC264580
Intermediate Similarity	0.7009	NPC473031
Intermediate Similarity	0.7009	NPC327481
Remote Similarity	0.6977	NPC322433
Remote Similarity	0.6964	NPC25565
Remote Similarity	0.6963	NPC122553
Remote Similarity	0.6963	NPC287358
Remote Similarity	0.6961	NPC12857
Remote Similarity	0.6952	NPC134825
Remote Similarity	0.6947	NPC226662
Remote Similarity	0.6944	NPC30445
Remote Similarity	0.6937	NPC469330
Remote Similarity	0.6937	NPC471309
Remote Similarity	0.6935	NPC192209
Remote Similarity	0.6934	NPC316202
Remote Similarity	0.6923	NPC478079
Remote Similarity	0.6909	NPC226438
Remote Similarity	0.6906	NPC190296
Remote Similarity	0.6903	NPC473501
Remote Similarity	0.6903	NPC475439
Remote Similarity	0.6901	NPC37548
Remote Similarity	0.6899	NPC474926
Remote Similarity	0.6887	NPC169016
Remote Similarity	0.6885	NPC187036
Remote Similarity	0.6881	NPC173991
Remote Similarity	0.6871	NPC68650
Remote Similarity	0.6863	NPC98269
Remote Similarity	0.6863	NPC325662
Remote Similarity	0.6861	NPC243162
Remote Similarity	0.6855	NPC313673
Remote Similarity	0.6855	NPC147957
Remote Similarity	0.6852	NPC471638
Remote Similarity	0.685	NPC475915
Remote Similarity	0.685	NPC71684
Remote Similarity	0.6847	NPC108800
Remote Similarity	0.6818	NPC191444
Remote Similarity	0.6789	NPC12429
Remote Similarity	0.6774	NPC101139
Remote Similarity	0.6774	NPC288232
Remote Similarity	0.6765	NPC139658
Remote Similarity	0.6761	NPC254798
Remote Similarity	0.6759	NPC25008
Remote Similarity	0.6759	NPC259644
Remote Similarity	0.6759	NPC469765
Remote Similarity	0.6759	NPC469763
Remote Similarity	0.6759	NPC469786
Remote Similarity	0.6759	NPC73952
Remote Similarity	0.6759	NPC469760
Remote Similarity	0.6757	NPC245259
Remote Similarity	0.6754	NPC311242
Remote Similarity	0.675	NPC77294
Remote Similarity	0.6741	NPC162417
Remote Similarity	0.6741	NPC184437
Remote Similarity	0.6741	NPC316104
Remote Similarity	0.6736	NPC24678
Remote Similarity	0.6736	NPC105818
Remote Similarity	0.6727	NPC176858
Remote Similarity	0.6721	NPC275410
Remote Similarity	0.6715	NPC218268
Remote Similarity	0.6715	NPC325252
Remote Similarity	0.6714	NPC314287
Remote Similarity	0.6712	NPC212376
Remote Similarity	0.6712	NPC211572
Remote Similarity	0.6712	NPC70922
Remote Similarity	0.6712	NPC75540
Remote Similarity	0.6712	NPC470507
Remote Similarity	0.6712	NPC38736
Remote Similarity	0.6712	NPC80597
Remote Similarity	0.6695	NPC150254
Remote Similarity	0.6695	NPC147000
Remote Similarity	0.6695	NPC226778
Remote Similarity	0.6695	NPC304761
Remote Similarity	0.669	NPC159856
Remote Similarity	0.6689	NPC109447
Remote Similarity	0.6667	NPC307437
Remote Similarity	0.6667	NPC84317
Remote Similarity	0.6667	NPC172170
Remote Similarity	0.6667	NPC316108
Remote Similarity	0.6667	NPC285469
Remote Similarity	0.6667	NPC187951
Remote Similarity	0.6667	NPC72473
Remote Similarity	0.6667	NPC189116
Remote Similarity	0.6667	NPC58827
Remote Similarity	0.6667	NPC474584
Remote Similarity	0.6667	NPC79618
Remote Similarity	0.6641	NPC279385
Remote Similarity	0.6641	NPC179605
Remote Similarity	0.6641	NPC316582
Remote Similarity	0.6639	NPC67043
Remote Similarity	0.6639	NPC319579
Remote Similarity	0.6637	NPC7067
Remote Similarity	0.6636	NPC119677
Remote Similarity	0.662	NPC242556
Remote Similarity	0.6615	NPC41174
Remote Similarity	0.6613	NPC276949
Remote Similarity	0.6613	NPC35850
Remote Similarity	0.661	NPC164859
Remote Similarity	0.6606	NPC258046
Remote Similarity	0.6602	NPC271642
Remote Similarity	0.66	NPC282231
Remote Similarity	0.6597	NPC471957
Remote Similarity	0.6593	NPC22079
Remote Similarity	0.6591	NPC252794
Remote Similarity	0.6589	NPC103292
Remote Similarity	0.6585	NPC329011
Remote Similarity	0.6583	NPC473498
Remote Similarity	0.6579	NPC49954
Remote Similarity	0.6579	NPC160105
Remote Similarity	0.6579	NPC329430
Remote Similarity	0.6579	NPC474561
Remote Similarity	0.6577	NPC154478
Remote Similarity	0.6573	NPC264589
Remote Similarity	0.6571	NPC2823
Remote Similarity	0.6571	NPC73767
Remote Similarity	0.6571	NPC43477
Remote Similarity	0.6569	NPC113000
Remote Similarity	0.6569	NPC112609
Remote Similarity	0.6569	NPC122327
Remote Similarity	0.6567	NPC314431
Remote Similarity	0.6567	NPC472245
Remote Similarity	0.656	NPC33742
Remote Similarity	0.6555	NPC194390
Remote Similarity	0.6555	NPC224610
Remote Similarity	0.6555	NPC88267
Remote Similarity	0.6555	NPC113326
Remote Similarity	0.6554	NPC469785
Remote Similarity	0.6549	NPC311330
Remote Similarity	0.6547	NPC84911
Remote Similarity	0.6541	NPC145754
Remote Similarity	0.6533	NPC279918
Remote Similarity	0.6525	NPC469783
Remote Similarity	0.6525	NPC469779
Remote Similarity	0.6525	NPC327226
Remote Similarity	0.6525	NPC469761
Remote Similarity	0.6525	NPC469768
Remote Similarity	0.6525	NPC469767
Remote Similarity	0.6525	NPC469784
Remote Similarity	0.6525	NPC472241
Remote Similarity	0.6525	NPC469780
Remote Similarity	0.6522	NPC198988
Remote Similarity	0.6515	NPC27740
Remote Similarity	0.6515	NPC325013
Remote Similarity	0.6514	NPC229477
Remote Similarity	0.651	NPC469762
Remote Similarity	0.6508	NPC197470
Remote Similarity	0.6505	NPC98976
Remote Similarity	0.6505	NPC301874
Remote Similarity	0.6496	NPC253476
Remote Similarity	0.6496	NPC313352
Remote Similarity	0.6493	NPC101372
Remote Similarity	0.6493	NPC150863
Remote Similarity	0.649	NPC472121
Remote Similarity	0.649	NPC16667
Remote Similarity	0.6484	NPC81561
Remote Similarity	0.6479	NPC63157
Remote Similarity	0.6479	NPC469766
Remote Similarity	0.6479	NPC473868
Remote Similarity	0.6475	NPC29886
Remote Similarity	0.6475	NPC96102

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	220.16
ALogP	-0.1909
MLogP	2.56
XLogP	3.545
HDA	3
HBD	2
Rotatable Bonds	9
TPSA	44.62
RO5 Violation	0