NPASS drugs

Drug Information

Drug ID:	NPD6913
Drug Name:	Chloramphenicol Palmitate
Molecular Formula:	C27H42Cl2N2O6
Canonical SMILES:	CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)N=C(C(Cl)Cl)O
Standard InCHI:	InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1
Standard InCHIKey:	PXKHGMGELZGJQE-ILBGXUMGSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD6913

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	105
0.1-0.2	762
0.2-0.3	3032
0.3-0.4	9655
0.4-0.5	14170
0.5-0.6	2891
0.6-0.7	270
0.7-0.8	4
0.8-0.85	0
0.85-0.9	1
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
High Similarity	0.8819	NPC159589
Intermediate Similarity	0.7237	NPC314278
Intermediate Similarity	0.7171	NPC205946
Intermediate Similarity	0.7107	NPC287358
Intermediate Similarity	0.7067	NPC190663
Remote Similarity	0.698	NPC169328
Remote Similarity	0.6974	NPC160493
Remote Similarity	0.6954	NPC80150
Remote Similarity	0.6949	NPC95412
Remote Similarity	0.6948	NPC4974
Remote Similarity	0.6933	NPC310467
Remote Similarity	0.6932	NPC83241
Remote Similarity	0.6852	NPC319645
Remote Similarity	0.6709	NPC296712
Remote Similarity	0.6685	NPC315934
Remote Similarity	0.6685	NPC477392
Remote Similarity	0.6667	NPC91953
Remote Similarity	0.6647	NPC314186
Remote Similarity	0.6646	NPC199738
Remote Similarity	0.6646	NPC210950
Remote Similarity	0.6627	NPC315829
Remote Similarity	0.6626	NPC6570
Remote Similarity	0.6625	NPC314098
Remote Similarity	0.6624	NPC47667
Remote Similarity	0.6624	NPC325013
Remote Similarity	0.6623	NPC476183
Remote Similarity	0.6623	NPC478015
Remote Similarity	0.6623	NPC478016
Remote Similarity	0.6623	NPC478014
Remote Similarity	0.6606	NPC197921
Remote Similarity	0.6601	NPC237420
Remote Similarity	0.6591	NPC35510
Remote Similarity	0.6591	NPC253667
Remote Similarity	0.6581	NPC476184
Remote Similarity	0.6581	NPC476281
Remote Similarity	0.6568	NPC478039
Remote Similarity	0.6566	NPC469360
Remote Similarity	0.6559	NPC477391
Remote Similarity	0.6552	NPC63370
Remote Similarity	0.6552	NPC36836
Remote Similarity	0.6548	NPC190945
Remote Similarity	0.6538	NPC474862
Remote Similarity	0.6533	NPC273814
Remote Similarity	0.6516	NPC477061
Remote Similarity	0.6516	NPC45777
Remote Similarity	0.6516	NPC150323
Remote Similarity	0.6514	NPC153694
Remote Similarity	0.6514	NPC211525
Remote Similarity	0.6509	NPC472242
Remote Similarity	0.65	NPC101372
Remote Similarity	0.6497	NPC476278
Remote Similarity	0.6486	NPC475962
Remote Similarity	0.6485	NPC159722
Remote Similarity	0.648	NPC278887
Remote Similarity	0.6471	NPC259678
Remote Similarity	0.6461	NPC189116
Remote Similarity	0.6456	NPC476260
Remote Similarity	0.6456	NPC317758
Remote Similarity	0.6456	NPC476241
Remote Similarity	0.6452	NPC319950
Remote Similarity	0.6442	NPC470392
Remote Similarity	0.6433	NPC254798
Remote Similarity	0.6425	NPC52059
Remote Similarity	0.6425	NPC470069
Remote Similarity	0.642	NPC314473
Remote Similarity	0.6415	NPC476179
Remote Similarity	0.6415	NPC476125
Remote Similarity	0.6407	NPC469426
Remote Similarity	0.6407	NPC472243
Remote Similarity	0.6407	NPC469427
Remote Similarity	0.6398	NPC197680
Remote Similarity	0.6398	NPC259098
Remote Similarity	0.6391	NPC314287
Remote Similarity	0.6389	NPC472114
Remote Similarity	0.6389	NPC472115
Remote Similarity	0.6384	NPC148468
Remote Similarity	0.6384	NPC243673
Remote Similarity	0.6384	NPC310403
Remote Similarity	0.6384	NPC97380
Remote Similarity	0.6384	NPC63210
Remote Similarity	0.6384	NPC263709
Remote Similarity	0.6354	NPC470971
Remote Similarity	0.6353	NPC323798
Remote Similarity	0.6349	NPC282092
Remote Similarity	0.6341	NPC244866
Remote Similarity	0.6335	NPC476353
Remote Similarity	0.6331	NPC472241
Remote Similarity	0.6329	NPC142577
Remote Similarity	0.6329	NPC27581
Remote Similarity	0.6322	NPC314223
Remote Similarity	0.6316	NPC474584
Remote Similarity	0.6316	NPC477556
Remote Similarity	0.6312	NPC474926
Remote Similarity	0.6304	NPC13367
Remote Similarity	0.6304	NPC279871
Remote Similarity	0.6301	NPC7817
Remote Similarity	0.6301	NPC475168
Remote Similarity	0.6299	NPC197470
Remote Similarity	0.6296	NPC469460
Remote Similarity	0.6289	NPC35996
Remote Similarity	0.6282	NPC314992
Remote Similarity	0.628	NPC45191
Remote Similarity	0.6278	NPC313757
Remote Similarity	0.6276	NPC12730
Remote Similarity	0.6275	NPC1986
Remote Similarity	0.6275	NPC474544
Remote Similarity	0.6273	NPC65310
Remote Similarity	0.6272	NPC316202
Remote Similarity	0.6263	NPC472329
Remote Similarity	0.6263	NPC472330
Remote Similarity	0.6259	NPC471317
Remote Similarity	0.6258	NPC280807
Remote Similarity	0.6258	NPC325651
Remote Similarity	0.6258	NPC478147
Remote Similarity	0.6258	NPC314431
Remote Similarity	0.6257	NPC81026
Remote Similarity	0.6257	NPC143457
Remote Similarity	0.625	NPC21752
Remote Similarity	0.625	NPC181527
Remote Similarity	0.625	NPC276993
Remote Similarity	0.625	NPC181138
Remote Similarity	0.625	NPC298851
Remote Similarity	0.625	NPC210415
Remote Similarity	0.625	NPC293255
Remote Similarity	0.6243	NPC245741
Remote Similarity	0.6235	NPC476978
Remote Similarity	0.6223	NPC288305
Remote Similarity	0.6221	NPC135121
Remote Similarity	0.6218	NPC28510
Remote Similarity	0.6215	NPC473297
Remote Similarity	0.6215	NPC161827
Remote Similarity	0.6213	NPC242933
Remote Similarity	0.6203	NPC274002
Remote Similarity	0.6203	NPC472331
Remote Similarity	0.6203	NPC194671
Remote Similarity	0.6203	NPC269750
Remote Similarity	0.6203	NPC126515
Remote Similarity	0.6199	NPC477217
Remote Similarity	0.6199	NPC266741
Remote Similarity	0.6199	NPC201244
Remote Similarity	0.6196	NPC469666
Remote Similarity	0.6196	NPC150863
Remote Similarity	0.6196	NPC122235
Remote Similarity	0.6193	NPC470902
Remote Similarity	0.6183	NPC129624
Remote Similarity	0.6182	NPC326966
Remote Similarity	0.6182	NPC275538
Remote Similarity	0.6182	NPC246913
Remote Similarity	0.618	NPC56635
Remote Similarity	0.6178	NPC229353
Remote Similarity	0.6176	NPC314113
Remote Similarity	0.6175	NPC469462
Remote Similarity	0.6163	NPC282578
Remote Similarity	0.6154	NPC163392
Remote Similarity	0.6154	NPC2265
Remote Similarity	0.6154	NPC471201
Remote Similarity	0.6154	NPC328763
Remote Similarity	0.6154	NPC239762
Remote Similarity	0.6149	NPC132771
Remote Similarity	0.6149	NPC164859
Remote Similarity	0.6146	NPC469830
Remote Similarity	0.6146	NPC471532
Remote Similarity	0.6142	NPC302548
Remote Similarity	0.6142	NPC475559
Remote Similarity	0.6133	NPC191863
Remote Similarity	0.6133	NPC289776
Remote Similarity	0.6133	NPC133470
Remote Similarity	0.6133	NPC471052
Remote Similarity	0.6133	NPC471051
Remote Similarity	0.6133	NPC471053
Remote Similarity	0.6131	NPC6913
Remote Similarity	0.6129	NPC471318
Remote Similarity	0.6127	NPC470824
Remote Similarity	0.6127	NPC471561
Remote Similarity	0.6126	NPC315542
Remote Similarity	0.612	NPC209463
Remote Similarity	0.6118	NPC239770
Remote Similarity	0.6111	NPC470343
Remote Similarity	0.6111	NPC474479
Remote Similarity	0.6111	NPC472244
Remote Similarity	0.6111	NPC472414
Remote Similarity	0.6108	NPC64897
Remote Similarity	0.6108	NPC90693
Remote Similarity	0.6108	NPC253476
Remote Similarity	0.6107	NPC224610
Remote Similarity	0.6107	NPC194390
Remote Similarity	0.6107	NPC88267
Remote Similarity	0.6107	NPC113326
Remote Similarity	0.6105	NPC469831
Remote Similarity	0.6105	NPC473922
Remote Similarity	0.6105	NPC5620
Remote Similarity	0.6102	NPC39431
Remote Similarity	0.6101	NPC130931
Remote Similarity	0.6094	NPC291759
Remote Similarity	0.6084	NPC246079
Remote Similarity	0.6082	NPC43477
Remote Similarity	0.6082	NPC161069
Remote Similarity	0.6078	NPC319579
Remote Similarity	0.6077	NPC474058
Remote Similarity	0.6075	NPC137627

Drug Structure

NPD6913 OpenBabel08211710072D 39 39 0 0 1 0 0 0 0 0999 V2000 12.9904 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 6.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 22 1 0 0 0 0 20 37 1 0 0 0 0 21 25 1 0 0 0 0 22 31 1 0 0 0 0 23 20 1 6 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 24 32 2 0 0 0 0 24 37 1 0 0 0 0 25 33 1 1 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 3 0 0 0 27 34 1 0 0 0 0 31 35 2 0 0 0 0 31 36 2 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 M END $$$$

External Identifiers

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

Drug Properties

Molecular Weight	560.24
ALogP	-2.6271
MLogP	3.33
XLogP	10.053
HDA	5
HBD	2
Rotatable Bonds	28
TPSA	122.26
RO5 Violation	2