Drug Information

Drug ID:  NPD3749
Drug Name:  Fluorescein
Molecular Formula:  C20H12O5
Canonical SMILES:  Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O
Standard InCHI:  InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
Standard InCHIKey:  GNBHRKFJIUUOQI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD3749

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
High Similarity 0.961 NPC143402
High Similarity 0.9342 NPC41326
High Similarity 0.9177 NPC155640
High Similarity 0.9167 NPC244750
High Similarity 0.9161 NPC13879
High Similarity 0.9108 NPC260296
High Similarity 0.9108 NPC115432
High Similarity 0.9097 NPC99199
High Similarity 0.9038 NPC137100
High Similarity 0.9026 NPC115324
High Similarity 0.9026 NPC193976
High Similarity 0.9026 NPC23668
High Similarity 0.9007 NPC230943
High Similarity 0.8994 NPC3448
High Similarity 0.8994 NPC477239
High Similarity 0.8981 NPC268360
High Similarity 0.8981 NPC65504
High Similarity 0.8968 NPC142308
High Similarity 0.8968 NPC207624
High Similarity 0.894 NPC302181
High Similarity 0.8938 NPC159508
High Similarity 0.8926 NPC254994
High Similarity 0.891 NPC213608
High Similarity 0.891 NPC1477
High Similarity 0.891 NPC235333
High Similarity 0.8903 NPC58668
High Similarity 0.8903 NPC106372
High Similarity 0.8896 NPC37208
High Similarity 0.8896 NPC221868
High Similarity 0.8882 NPC32470
High Similarity 0.8882 NPC155144
High Similarity 0.8882 NPC131766
High Similarity 0.8882 NPC474591
High Similarity 0.8874 NPC53192
High Similarity 0.8854 NPC297531
High Similarity 0.8854 NPC148938
High Similarity 0.8854 NPC213936
High Similarity 0.8846 NPC5871
High Similarity 0.8839 NPC470107
High Similarity 0.8831 NPC135325
High Similarity 0.8831 NPC272194
High Similarity 0.8824 NPC267509
High Similarity 0.8824 NPC210826
High Similarity 0.882 NPC38591
High Similarity 0.8816 NPC225884
High Similarity 0.8805 NPC472877
High Similarity 0.879 NPC72370
High Similarity 0.879 NPC472462
High Similarity 0.8782 NPC78835
High Similarity 0.8782 NPC148945
High Similarity 0.8782 NPC309512
High Similarity 0.8782 NPC316960
High Similarity 0.8782 NPC156244
High Similarity 0.8782 NPC204561
High Similarity 0.8782 NPC317715
High Similarity 0.878 NPC120220
High Similarity 0.8774 NPC226644
High Similarity 0.8774 NPC37226
High Similarity 0.8773 NPC320789
High Similarity 0.8766 NPC17816
High Similarity 0.8766 NPC140120
High Similarity 0.8766 NPC12148
High Similarity 0.8766 NPC130581
High Similarity 0.8766 NPC12305
High Similarity 0.8765 NPC259007
High Similarity 0.8765 NPC329215
High Similarity 0.8765 NPC204088
High Similarity 0.8742 NPC164110
High Similarity 0.8742 NPC246647
High Similarity 0.8742 NPC96342
High Similarity 0.8742 NPC212967
High Similarity 0.8727 NPC472584
High Similarity 0.8726 NPC67654
High Similarity 0.8718 NPC151973
High Similarity 0.8718 NPC78335
High Similarity 0.8718 NPC307780
High Similarity 0.8718 NPC230713
High Similarity 0.8718 NPC295036
High Similarity 0.8718 NPC309979
High Similarity 0.8718 NPC167576
High Similarity 0.8712 NPC323137
High Similarity 0.871 NPC35150
High Similarity 0.871 NPC106328
High Similarity 0.8701 NPC300267
High Similarity 0.8701 NPC51641
High Similarity 0.8688 NPC40583
High Similarity 0.8684 NPC105648
High Similarity 0.8679 NPC180924
High Similarity 0.8671 NPC122365
High Similarity 0.8662 NPC305965
High Similarity 0.8662 NPC170169
High Similarity 0.8659 NPC86477
High Similarity 0.8658 NPC9985
High Similarity 0.8658 NPC239495
High Similarity 0.8654 NPC296030
High Similarity 0.8654 NPC39929
High Similarity 0.8654 NPC178202
High Similarity 0.8654 NPC65775
High Similarity 0.8654 NPC10027
High Similarity 0.865 NPC29411
High Similarity 0.865 NPC169471
High Similarity 0.8645 NPC180477
High Similarity 0.8645 NPC77903
High Similarity 0.8645 NPC17101
High Similarity 0.8636 NPC29577
High Similarity 0.8636 NPC98926
High Similarity 0.8636 NPC303185
High Similarity 0.8636 NPC184649
High Similarity 0.8636 NPC134621
High Similarity 0.8634 NPC114147
High Similarity 0.8627 NPC310340
High Similarity 0.8627 NPC144499
High Similarity 0.8627 NPC202981
High Similarity 0.8625 NPC260902
High Similarity 0.8625 NPC270044
High Similarity 0.8625 NPC296957
High Similarity 0.8618 NPC275734
High Similarity 0.8618 NPC220106
High Similarity 0.8616 NPC254351
High Similarity 0.8616 NPC474542
High Similarity 0.8608 NPC217447
High Similarity 0.8606 NPC53252
High Similarity 0.8599 NPC155882
High Similarity 0.8599 NPC194379
High Similarity 0.859 NPC161864
High Similarity 0.859 NPC208303
High Similarity 0.8581 NPC299011
High Similarity 0.8581 NPC477955
High Similarity 0.8581 NPC154217
High Similarity 0.8581 NPC25844
High Similarity 0.8581 NPC237208
High Similarity 0.8581 NPC57470
High Similarity 0.858 NPC92589
High Similarity 0.8571 NPC474373
High Similarity 0.8571 NPC95123
High Similarity 0.8571 NPC166138
High Similarity 0.8571 NPC18585
High Similarity 0.8571 NPC66404
High Similarity 0.8571 NPC164384
High Similarity 0.8571 NPC38219
High Similarity 0.8571 NPC219915
High Similarity 0.8571 NPC113770
High Similarity 0.8571 NPC106985
High Similarity 0.8563 NPC261471
High Similarity 0.8563 NPC24748
High Similarity 0.8563 NPC59491
High Similarity 0.8562 NPC160015
High Similarity 0.8562 NPC14871
High Similarity 0.8562 NPC309648
High Similarity 0.8562 NPC247677
High Similarity 0.8562 NPC146211
High Similarity 0.8554 NPC218533
High Similarity 0.8554 NPC78830
High Similarity 0.8553 NPC95842
High Similarity 0.8553 NPC316480
High Similarity 0.8553 NPC178964
High Similarity 0.8553 NPC280530
High Similarity 0.8553 NPC329844
High Similarity 0.8553 NPC261234
High Similarity 0.8545 NPC286230
High Similarity 0.8545 NPC253730
High Similarity 0.8544 NPC209142
High Similarity 0.8544 NPC67322
High Similarity 0.8544 NPC116604
High Similarity 0.8544 NPC312549
High Similarity 0.8544 NPC111112
High Similarity 0.8544 NPC258249
High Similarity 0.8544 NPC149085
High Similarity 0.8544 NPC138299
High Similarity 0.8544 NPC222713
High Similarity 0.8544 NPC227166
High Similarity 0.8543 NPC228661
High Similarity 0.8543 NPC103001
High Similarity 0.8543 NPC290291
High Similarity 0.8543 NPC275055
High Similarity 0.8535 NPC291746
High Similarity 0.8535 NPC288840
High Similarity 0.8535 NPC469932
High Similarity 0.8535 NPC6923
High Similarity 0.8535 NPC473978
High Similarity 0.8526 NPC249942
High Similarity 0.8526 NPC297886
High Similarity 0.8521 NPC297807
High Similarity 0.8521 NPC98546
High Similarity 0.8516 NPC39045
High Similarity 0.8516 NPC470135
High Similarity 0.8516 NPC470136
High Similarity 0.8516 NPC469953
High Similarity 0.8516 NPC316535
High Similarity 0.8516 NPC278175
High Similarity 0.8516 NPC257236
High Similarity 0.8516 NPC311144
High Similarity 0.8516 NPC196137
High Similarity 0.8516 NPC1886
High Similarity 0.8516 NPC311741
High Similarity 0.8516 NPC234629
High Similarity 0.8509 NPC318527
High Similarity 0.8509 NPC323627
High Similarity 0.8509 NPC269495
High Similarity 0.8509 NPC324358

Drug Structure

External Identifiers

TTD   DNC013608
DrugBank   DB00693
ChEMBL   CHEMBL1057
IUPHAR/BPS  
PharmaGKB   PA164746009
KEGG Drug   D01261
PubChem CID   16850
ChEBI   31624
CAS Number  

Drug Properties

Molecular Weight  332.07
ALogP  -1.4507
MLogP  3.11
XLogP  4.002
HDA  1
HBD  2
Rotatable Bonds  2
TPSA  79.9
RO5 Violation  0