NPASS drugs

Drug Information

Drug ID:	NPD2037
Drug Name:	Norfloxacin
Molecular Formula:	C16H18FN3O3
Canonical SMILES:	CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F
Standard InCHI:	InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
Standard InCHIKey:	OGJPXUAPXNRGGI-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD2037

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	180
0.1-0.2	1311
0.2-0.3	6632
0.3-0.4	12431
0.4-0.5	8080
0.5-0.6	1846
0.6-0.7	365
0.7-0.8	42
0.8-0.85	1
0.85-0.9	0
0.9-0.95	1
0.95-1	1

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	0.9742	NPC292265
High Similarity	0.9245	NPC318183
Intermediate Similarity	0.848	NPC316141
Intermediate Similarity	0.7633	NPC36495
Intermediate Similarity	0.7592	NPC329567
Intermediate Similarity	0.7592	NPC330683
Intermediate Similarity	0.7542	NPC470317
Intermediate Similarity	0.7442	NPC293458
Intermediate Similarity	0.7429	NPC472118
Intermediate Similarity	0.7312	NPC253476
Intermediate Similarity	0.7297	NPC313293
Intermediate Similarity	0.7273	NPC167724
Intermediate Similarity	0.7273	NPC223595
Intermediate Similarity	0.7273	NPC224970
Intermediate Similarity	0.7267	NPC123241
Intermediate Similarity	0.7267	NPC61013
Intermediate Similarity	0.7234	NPC202812
Intermediate Similarity	0.7233	NPC314098
Intermediate Similarity	0.7225	NPC193410
Intermediate Similarity	0.7212	NPC472241
Intermediate Similarity	0.7184	NPC248117
Intermediate Similarity	0.7184	NPC27904
Intermediate Similarity	0.717	NPC194562
Intermediate Similarity	0.7152	NPC471164
Intermediate Similarity	0.7152	NPC43477
Intermediate Similarity	0.7143	NPC279385
Intermediate Similarity	0.7143	NPC179605
Intermediate Similarity	0.7134	NPC472244
Intermediate Similarity	0.7134	NPC470343
Intermediate Similarity	0.712	NPC97584
Intermediate Similarity	0.7097	NPC103292
Intermediate Similarity	0.7091	NPC242933
Intermediate Similarity	0.7091	NPC472243
Intermediate Similarity	0.7088	NPC218594
Intermediate Similarity	0.7088	NPC99043
Intermediate Similarity	0.7083	NPC472242
Intermediate Similarity	0.7078	NPC177684
Intermediate Similarity	0.7078	NPC291962
Intermediate Similarity	0.7032	NPC258531
Intermediate Similarity	0.7032	NPC112373
Intermediate Similarity	0.7032	NPC161956
Intermediate Similarity	0.7027	NPC471742
Intermediate Similarity	0.7018	NPC144691
Intermediate Similarity	0.7006	NPC113056
Intermediate Similarity	0.7006	NPC138293
Remote Similarity	0.6987	NPC257490
Remote Similarity	0.6957	NPC472245
Remote Similarity	0.694	NPC14849
Remote Similarity	0.6937	NPC72473
Remote Similarity	0.6937	NPC307437
Remote Similarity	0.6937	NPC58827
Remote Similarity	0.6927	NPC214960
Remote Similarity	0.6927	NPC279527
Remote Similarity	0.6923	NPC329338
Remote Similarity	0.6923	NPC469726
Remote Similarity	0.6914	NPC316746
Remote Similarity	0.691	NPC204867
Remote Similarity	0.6893	NPC474058
Remote Similarity	0.6885	NPC264482
Remote Similarity	0.6885	NPC203202
Remote Similarity	0.6885	NPC471743
Remote Similarity	0.6854	NPC282339
Remote Similarity	0.6854	NPC99632
Remote Similarity	0.6852	NPC314431
Remote Similarity	0.6848	NPC173295
Remote Similarity	0.6848	NPC186669
Remote Similarity	0.6845	NPC285923
Remote Similarity	0.6842	NPC478039
Remote Similarity	0.6842	NPC5630
Remote Similarity	0.6835	NPC39818
Remote Similarity	0.6835	NPC268534
Remote Similarity	0.6831	NPC328611
Remote Similarity	0.6824	NPC314186
Remote Similarity	0.6816	NPC189116
Remote Similarity	0.6811	NPC6974
Remote Similarity	0.6811	NPC147298
Remote Similarity	0.6811	NPC182057
Remote Similarity	0.6811	NPC131450
Remote Similarity	0.6809	NPC52262
Remote Similarity	0.6806	NPC203628
Remote Similarity	0.679	NPC150863
Remote Similarity	0.6788	NPC162417
Remote Similarity	0.6788	NPC316104
Remote Similarity	0.6782	NPC314223
Remote Similarity	0.6782	NPC154602
Remote Similarity	0.6763	NPC300596
Remote Similarity	0.6763	NPC237649
Remote Similarity	0.676	NPC472117
Remote Similarity	0.6753	NPC303214
Remote Similarity	0.6752	NPC226143
Remote Similarity	0.6748	NPC280807
Remote Similarity	0.674	NPC472114
Remote Similarity	0.674	NPC182131
Remote Similarity	0.674	NPC472115
Remote Similarity	0.6739	NPC470548
Remote Similarity	0.6737	NPC14994
Remote Similarity	0.6737	NPC473815
Remote Similarity	0.6704	NPC472102
Remote Similarity	0.6704	NPC309531
Remote Similarity	0.6703	NPC475607
Remote Similarity	0.6703	NPC470971
Remote Similarity	0.6702	NPC159963
Remote Similarity	0.6667	NPC322433
Remote Similarity	0.6667	NPC474081
Remote Similarity	0.6649	NPC248862
Remote Similarity	0.6649	NPC475594
Remote Similarity	0.6648	NPC285381
Remote Similarity	0.6647	NPC2823
Remote Similarity	0.6628	NPC130797
Remote Similarity	0.6628	NPC136002
Remote Similarity	0.6627	NPC319645
Remote Similarity	0.6615	NPC316405
Remote Similarity	0.6613	NPC476441
Remote Similarity	0.661	NPC478076
Remote Similarity	0.6604	NPC150323
Remote Similarity	0.6593	NPC471130
Remote Similarity	0.6585	NPC209389
Remote Similarity	0.6583	NPC232600
Remote Similarity	0.6575	NPC88970
Remote Similarity	0.6575	NPC472121
Remote Similarity	0.6556	NPC154478
Remote Similarity	0.6545	NPC477432
Remote Similarity	0.6543	NPC474041
Remote Similarity	0.6543	NPC475761
Remote Similarity	0.6543	NPC475094
Remote Similarity	0.6536	NPC84317
Remote Similarity	0.6534	NPC473329
Remote Similarity	0.6531	NPC220151
Remote Similarity	0.6531	NPC19692
Remote Similarity	0.6519	NPC225319
Remote Similarity	0.6515	NPC132874
Remote Similarity	0.6515	NPC138615
Remote Similarity	0.6515	NPC265642
Remote Similarity	0.6515	NPC218733
Remote Similarity	0.6508	NPC298320
Remote Similarity	0.6505	NPC177261
Remote Similarity	0.6503	NPC205946
Remote Similarity	0.6502	NPC478075
Remote Similarity	0.65	NPC130931
Remote Similarity	0.65	NPC471944
Remote Similarity	0.6484	NPC476231
Remote Similarity	0.6479	NPC115588
Remote Similarity	0.6462	NPC25401
Remote Similarity	0.6462	NPC22476
Remote Similarity	0.6461	NPC117032
Remote Similarity	0.6453	NPC471574
Remote Similarity	0.6453	NPC225400
Remote Similarity	0.6453	NPC316202
Remote Similarity	0.645	NPC300299
Remote Similarity	0.6443	NPC175474
Remote Similarity	0.6442	NPC192533
Remote Similarity	0.6441	NPC13526
Remote Similarity	0.6422	NPC470786
Remote Similarity	0.6422	NPC472538
Remote Similarity	0.6422	NPC471155
Remote Similarity	0.6421	NPC475685
Remote Similarity	0.6417	NPC476425
Remote Similarity	0.6414	NPC470787
Remote Similarity	0.6414	NPC472539
Remote Similarity	0.6414	NPC472540
Remote Similarity	0.6413	NPC52059
Remote Similarity	0.6413	NPC470069
Remote Similarity	0.6409	NPC211525
Remote Similarity	0.6409	NPC113946
Remote Similarity	0.6409	NPC153694
Remote Similarity	0.6404	NPC243756
Remote Similarity	0.64	NPC106118
Remote Similarity	0.6395	NPC130251
Remote Similarity	0.6393	NPC253667
Remote Similarity	0.6393	NPC35510
Remote Similarity	0.6393	NPC176983
Remote Similarity	0.639	NPC285192
Remote Similarity	0.639	NPC270241
Remote Similarity	0.6386	NPC122235
Remote Similarity	0.6382	NPC472541
Remote Similarity	0.6382	NPC472542
Remote Similarity	0.6382	NPC90967
Remote Similarity	0.638	NPC151171
Remote Similarity	0.638	NPC254698
Remote Similarity	0.6379	NPC478040
Remote Similarity	0.6374	NPC287358
Remote Similarity	0.6364	NPC264589
Remote Similarity	0.6343	NPC190945
Remote Similarity	0.6337	NPC98864
Remote Similarity	0.6337	NPC83214
Remote Similarity	0.6332	NPC472116
Remote Similarity	0.6324	NPC87714
Remote Similarity	0.6324	NPC314648
Remote Similarity	0.6324	NPC301292
Remote Similarity	0.6324	NPC313112
Remote Similarity	0.6324	NPC299582
Remote Similarity	0.6304	NPC472101
Remote Similarity	0.6304	NPC472120
Remote Similarity	0.6304	NPC199737
Remote Similarity	0.6302	NPC476428
Remote Similarity	0.6301	NPC315051
Remote Similarity	0.6299	NPC172170
Remote Similarity	0.6298	NPC473297
Remote Similarity	0.6289	NPC49184
Remote Similarity	0.6286	NPC314287

Drug Structure

NPD2037 OpenBabel08211701392D 25 27 0 0 0 0 0 0 0 0999 V2000 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 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 -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 -2.5981 -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 -2.5981 -0.5000 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 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 18 24 1 0 0 0 0 23 25 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DAP000654
DrugBank	DB01059
ChEMBL	CHEMBL9
IUPHAR/BPS
PharmaGKB	PA450654
KEGG Drug	D00210
PubChem CID	4539
ChEBI	100246
CAS Number	70458-96-7

Drug Properties

Molecular Weight	319.13
ALogP	-0.2676
MLogP	2.45
XLogP	1.868
HDA	6
HBD	2
Rotatable Bonds	6
TPSA	72.88
RO5 Violation	0