Drug Information

Drug ID:  NPD4370
Drug Name:  Prulifloxacin
Molecular Formula:  C21H20FN3O6S
Canonical SMILES:  O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C
Standard InCHI:  InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)
Standard InCHIKey:  PWNMXPDKBYZCOO-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4370

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
Intermediate Similarity 0.8249 NPC318183
Intermediate Similarity 0.8146 NPC292265
Intermediate Similarity 0.7475 NPC329567
Intermediate Similarity 0.7475 NPC330683
Intermediate Similarity 0.7344 NPC316141
Remote Similarity 0.6667 NPC36495
Remote Similarity 0.6597 NPC293458
Remote Similarity 0.6584 NPC473815
Remote Similarity 0.658 NPC472114
Remote Similarity 0.658 NPC472115
Remote Similarity 0.655 NPC470317
Remote Similarity 0.6545 NPC474058
Remote Similarity 0.6545 NPC27904
Remote Similarity 0.6534 NPC314098
Remote Similarity 0.6513 NPC472118
Remote Similarity 0.6477 NPC328270
Remote Similarity 0.6471 NPC144691
Remote Similarity 0.6462 NPC223595
Remote Similarity 0.6462 NPC167724
Remote Similarity 0.6462 NPC224970
Remote Similarity 0.644 NPC123241
Remote Similarity 0.644 NPC61013
Remote Similarity 0.6439 NPC313293
Remote Similarity 0.6437 NPC472244
Remote Similarity 0.6437 NPC470343
Remote Similarity 0.6436 NPC97584
Remote Similarity 0.6414 NPC470548
Remote Similarity 0.6406 NPC193410
Remote Similarity 0.64 NPC6974
Remote Similarity 0.6398 NPC478039
Remote Similarity 0.6392 NPC204867
Remote Similarity 0.6382 NPC475607
Remote Similarity 0.6378 NPC314186
Remote Similarity 0.6374 NPC177684
Remote Similarity 0.6374 NPC291962
Remote Similarity 0.6373 NPC248117
Remote Similarity 0.6368 NPC475685
Remote Similarity 0.6359 NPC52059
Remote Similarity 0.6359 NPC470069
Remote Similarity 0.6354 NPC153694
Remote Similarity 0.6354 NPC211525
Remote Similarity 0.635 NPC474081
Remote Similarity 0.6341 NPC14994
Remote Similarity 0.6337 NPC258531
Remote Similarity 0.6337 NPC161956
Remote Similarity 0.6337 NPC112373
Remote Similarity 0.6332 NPC475594
Remote Similarity 0.6324 NPC478040
Remote Similarity 0.6318 NPC218594
Remote Similarity 0.6318 NPC99043
Remote Similarity 0.6304 NPC471164
Remote Similarity 0.6304 NPC43477
Remote Similarity 0.6301 NPC257490
Remote Similarity 0.6292 NPC194562
Remote Similarity 0.6292 NPC477432
Remote Similarity 0.6278 NPC475609
Remote Similarity 0.6275 NPC302235
Remote Similarity 0.6263 NPC154602
Remote Similarity 0.6263 NPC314223
Remote Similarity 0.6257 NPC316746
Remote Similarity 0.625 NPC469726
Remote Similarity 0.625 NPC472243
Remote Similarity 0.625 NPC329338
Remote Similarity 0.6244 NPC214960
Remote Similarity 0.6244 NPC279527
Remote Similarity 0.6238 NPC474041
Remote Similarity 0.6238 NPC202812
Remote Similarity 0.6238 NPC475761
Remote Similarity 0.6237 NPC243673
Remote Similarity 0.6237 NPC97380
Remote Similarity 0.6237 NPC63210
Remote Similarity 0.6237 NPC310403
Remote Similarity 0.6237 NPC263709
Remote Similarity 0.6237 NPC148468
Remote Similarity 0.6226 NPC265642
Remote Similarity 0.6226 NPC132874
Remote Similarity 0.6226 NPC218733
Remote Similarity 0.6226 NPC138615
Remote Similarity 0.6225 NPC159963
Remote Similarity 0.6219 NPC476441
Remote Similarity 0.6215 NPC98864
Remote Similarity 0.6209 NPC472116
Remote Similarity 0.6209 NPC472540
Remote Similarity 0.6209 NPC470787
Remote Similarity 0.6209 NPC472539
Remote Similarity 0.6205 NPC225319
Remote Similarity 0.6203 NPC470822
Remote Similarity 0.6202 NPC5630
Remote Similarity 0.6201 NPC314431
Remote Similarity 0.62 NPC276993
Remote Similarity 0.62 NPC293255
Remote Similarity 0.62 NPC210415
Remote Similarity 0.62 NPC181138
Remote Similarity 0.62 NPC21752
Remote Similarity 0.62 NPC298851
Remote Similarity 0.6199 NPC471741
Remote Similarity 0.6198 NPC478076
Remote Similarity 0.6195 NPC285923
Remote Similarity 0.6195 NPC471742
Remote Similarity 0.6188 NPC14849
Remote Similarity 0.6188 NPC186669
Remote Similarity 0.6179 NPC472541
Remote Similarity 0.6179 NPC472542
Remote Similarity 0.6173 NPC253667
Remote Similarity 0.6173 NPC476231
Remote Similarity 0.6173 NPC35510
Remote Similarity 0.6173 NPC472117
Remote Similarity 0.6172 NPC203628
Remote Similarity 0.6171 NPC39818
Remote Similarity 0.6154 NPC316405
Remote Similarity 0.6154 NPC253476
Remote Similarity 0.6147 NPC478075
Remote Similarity 0.6145 NPC150863
Remote Similarity 0.6142 NPC138293
Remote Similarity 0.6142 NPC189116
Remote Similarity 0.6142 NPC113056
Remote Similarity 0.614 NPC115588
Remote Similarity 0.6139 NPC264482
Remote Similarity 0.6139 NPC203202
Remote Similarity 0.6132 NPC303214
Remote Similarity 0.6131 NPC470971
Remote Similarity 0.6129 NPC470301
Remote Similarity 0.6119 NPC476425
Remote Similarity 0.6111 NPC472245
Remote Similarity 0.6111 NPC280807
Remote Similarity 0.6108 NPC319645
Remote Similarity 0.6096 NPC472241
Remote Similarity 0.6092 NPC226143
Remote Similarity 0.6091 NPC99632
Remote Similarity 0.6091 NPC282339
Remote Similarity 0.6089 NPC328611
Remote Similarity 0.6087 NPC52262
Remote Similarity 0.6085 NPC221687
Remote Similarity 0.6085 NPC472242
Remote Similarity 0.6082 NPC161827
Remote Similarity 0.6082 NPC473297
Remote Similarity 0.608 NPC182131
Remote Similarity 0.6078 NPC147298
Remote Similarity 0.6078 NPC475094
Remote Similarity 0.6078 NPC182057
Remote Similarity 0.6078 NPC131450
Remote Similarity 0.6075 NPC242933
Remote Similarity 0.6075 NPC248782
Remote Similarity 0.6071 NPC154478
Remote Similarity 0.6065 NPC232600
Remote Similarity 0.6065 NPC469732
Remote Similarity 0.6062 NPC285381
Remote Similarity 0.6061 NPC313757
Remote Similarity 0.6059 NPC151171
Remote Similarity 0.6059 NPC471743
Remote Similarity 0.6057 NPC179605
Remote Similarity 0.6057 NPC279385
Remote Similarity 0.6056 NPC97100
Remote Similarity 0.6056 NPC473375
Remote Similarity 0.6055 NPC473239
Remote Similarity 0.6049 NPC85613
Remote Similarity 0.6049 NPC5167
Remote Similarity 0.6049 NPC166169
Remote Similarity 0.6049 NPC298320
Remote Similarity 0.604 NPC177261
Remote Similarity 0.603 NPC471130
Remote Similarity 0.603 NPC299582
Remote Similarity 0.6028 NPC90967
Remote Similarity 0.6023 NPC103292
Remote Similarity 0.6021 NPC13470
Remote Similarity 0.602 NPC113946
Remote Similarity 0.6019 NPC25401
Remote Similarity 0.6019 NPC476428
Remote Similarity 0.601 NPC88970
Remote Similarity 0.601 NPC472121
Remote Similarity 0.601 NPC243756
Remote Similarity 0.6 NPC307437
Remote Similarity 0.6 NPC58827
Remote Similarity 0.6 NPC72473
Remote Similarity 0.599 NPC300596
Remote Similarity 0.599 NPC355
Remote Similarity 0.599 NPC237649
Remote Similarity 0.5982 NPC314648
Remote Similarity 0.5979 NPC308197
Remote Similarity 0.5973 NPC285192
Remote Similarity 0.5972 NPC471196
Remote Similarity 0.5972 NPC471195
Remote Similarity 0.5969 NPC84317
Remote Similarity 0.5968 NPC122553
Remote Similarity 0.5963 NPC1464
Remote Similarity 0.596 NPC93653
Remote Similarity 0.5957 NPC471574
Remote Similarity 0.5955 NPC246140
Remote Similarity 0.5955 NPC195787
Remote Similarity 0.5951 NPC127082
Remote Similarity 0.595 NPC471124
Remote Similarity 0.5943 NPC22476
Remote Similarity 0.5936 NPC295548
Remote Similarity 0.5935 NPC34717
Remote Similarity 0.5931 NPC248862
Remote Similarity 0.5931 NPC122886
Remote Similarity 0.593 NPC472101
Remote Similarity 0.593 NPC472120
Remote Similarity 0.593 NPC199737
Remote Similarity 0.592 NPC278887

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  461.11
ALogP  1.8925
MLogP  2.56
XLogP  2.675
HDA  9
HBD  1
Rotatable Bonds  8
TPSA  124.92
RO5 Violation  0