Drug Information

Drug ID:  NPD3750
Drug Name:  Fluorescein
Molecular Formula:  C20H12O5
Canonical SMILES:  Oc1ccc2c(c1)oc1c(c2c2ccccc2C(=O)O)ccc(=O)c1
Standard InCHI:  InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
Standard InCHIKey:  YKGGGCXBWXHKIZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3750

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 0.9209 NPC254994
High Similarity 0.9021 NPC131766
High Similarity 0.8973 NPC295036
High Similarity 0.8929 NPC228661
High Similarity 0.8905 NPC307289
High Similarity 0.8905 NPC113006
High Similarity 0.8849 NPC172262
High Similarity 0.8844 NPC470107
High Similarity 0.8832 NPC137264
High Similarity 0.8828 NPC154217
High Similarity 0.8819 NPC71739
High Similarity 0.8819 NPC295696
High Similarity 0.8811 NPC105648
High Similarity 0.8803 NPC310370
High Similarity 0.8803 NPC183642
High Similarity 0.8803 NPC170812
High Similarity 0.8794 NPC103001
High Similarity 0.8794 NPC332594
High Similarity 0.8794 NPC266597
High Similarity 0.8794 NPC250266
High Similarity 0.8786 NPC9985
High Similarity 0.8786 NPC239495
High Similarity 0.8777 NPC57601
High Similarity 0.8777 NPC274121
High Similarity 0.8777 NPC213216
High Similarity 0.8777 NPC50898
High Similarity 0.8777 NPC78540
High Similarity 0.8776 NPC65775
High Similarity 0.8776 NPC10027
High Similarity 0.8767 NPC140120
High Similarity 0.8767 NPC142863
High Similarity 0.8767 NPC180477
High Similarity 0.8759 NPC39753
High Similarity 0.8759 NPC32470
High Similarity 0.8759 NPC196137
High Similarity 0.8759 NPC115998
High Similarity 0.8759 NPC29577
High Similarity 0.8759 NPC134621
High Similarity 0.8759 NPC469953
High Similarity 0.8759 NPC1886
High Similarity 0.875 NPC202981
High Similarity 0.875 NPC310340
High Similarity 0.875 NPC36181
High Similarity 0.8741 NPC261227
High Similarity 0.8741 NPC220106
High Similarity 0.8741 NPC275734
High Similarity 0.8741 NPC172986
High Similarity 0.8741 NPC270883
High Similarity 0.8732 NPC201395
High Similarity 0.8732 NPC71903
High Similarity 0.8723 NPC124784
High Similarity 0.8723 NPC47815
High Similarity 0.8723 NPC231772
High Similarity 0.8723 NPC13408
High Similarity 0.8723 NPC473887
High Similarity 0.8723 NPC127447
High Similarity 0.8723 NPC194281
High Similarity 0.8723 NPC234133
High Similarity 0.8723 NPC29353
High Similarity 0.8714 NPC248872
High Similarity 0.8714 NPC66705
High Similarity 0.8707 NPC208303
High Similarity 0.8707 NPC161864
High Similarity 0.8699 NPC237208
High Similarity 0.8699 NPC470322
High Similarity 0.8699 NPC267509
High Similarity 0.8699 NPC57470
High Similarity 0.8699 NPC181388
High Similarity 0.869 NPC219915
High Similarity 0.869 NPC188632
High Similarity 0.869 NPC112791
High Similarity 0.869 NPC66404
High Similarity 0.869 NPC470296
High Similarity 0.869 NPC470216
High Similarity 0.869 NPC11700
High Similarity 0.869 NPC95123
High Similarity 0.869 NPC38219
High Similarity 0.869 NPC87609
High Similarity 0.869 NPC196459
High Similarity 0.869 NPC94794
High Similarity 0.8686 NPC197425
High Similarity 0.8681 NPC250755
High Similarity 0.8681 NPC205006
High Similarity 0.8681 NPC147688
High Similarity 0.8681 NPC156590
High Similarity 0.8681 NPC14871
High Similarity 0.8681 NPC118840
High Similarity 0.8681 NPC110969
High Similarity 0.8681 NPC64908
High Similarity 0.8671 NPC96565
High Similarity 0.8671 NPC55018
High Similarity 0.8671 NPC301217
High Similarity 0.8671 NPC18260
High Similarity 0.8671 NPC155552
High Similarity 0.8671 NPC220062
High Similarity 0.8671 NPC261234
High Similarity 0.8671 NPC316480
High Similarity 0.8671 NPC303633
High Similarity 0.8671 NPC136095
High Similarity 0.8671 NPC78913
High Similarity 0.8671 NPC216978
High Similarity 0.8667 NPC168259
High Similarity 0.8662 NPC7013
High Similarity 0.8662 NPC116632
High Similarity 0.8662 NPC275055
High Similarity 0.8662 NPC294409
High Similarity 0.8662 NPC209560
High Similarity 0.8662 NPC221046
High Similarity 0.8662 NPC181124
High Similarity 0.8662 NPC162680
High Similarity 0.8662 NPC303644
High Similarity 0.8662 NPC299379
High Similarity 0.8662 NPC290291
High Similarity 0.8658 NPC316960
High Similarity 0.8658 NPC204561
High Similarity 0.8658 NPC189773
High Similarity 0.8658 NPC78835
High Similarity 0.8658 NPC317715
High Similarity 0.8658 NPC258249
High Similarity 0.8658 NPC39819
High Similarity 0.8658 NPC148945
High Similarity 0.8658 NPC309512
High Similarity 0.8652 NPC234560
High Similarity 0.8652 NPC39426
High Similarity 0.8652 NPC223616
High Similarity 0.8649 NPC473978
High Similarity 0.8649 NPC6923
High Similarity 0.8649 NPC469932
High Similarity 0.8649 NPC70764
High Similarity 0.8639 NPC12305
High Similarity 0.8639 NPC17101
High Similarity 0.8639 NPC24673
High Similarity 0.8639 NPC249942
High Similarity 0.8639 NPC297886
High Similarity 0.8639 NPC97716
High Similarity 0.8639 NPC77903
High Similarity 0.8639 NPC104406
High Similarity 0.8639 NPC201731
High Similarity 0.8639 NPC79469
High Similarity 0.8639 NPC237635
High Similarity 0.8633 NPC66384
High Similarity 0.8633 NPC164236
High Similarity 0.8633 NPC128348
High Similarity 0.8633 NPC309717
High Similarity 0.8633 NPC189106
High Similarity 0.8633 NPC112192
High Similarity 0.863 NPC234629
High Similarity 0.863 NPC184649
High Similarity 0.863 NPC469935
High Similarity 0.863 NPC178627
High Similarity 0.863 NPC303185
High Similarity 0.863 NPC312789
High Similarity 0.863 NPC311741
High Similarity 0.8623 NPC247779
High Similarity 0.8621 NPC11561
High Similarity 0.8621 NPC217083
High Similarity 0.8621 NPC59739
High Similarity 0.8621 NPC62840
High Similarity 0.8621 NPC214236
High Similarity 0.8621 NPC144499
High Similarity 0.8621 NPC299080
High Similarity 0.8621 NPC226636
High Similarity 0.8621 NPC473042
High Similarity 0.8621 NPC78803
High Similarity 0.8621 NPC293852
High Similarity 0.8611 NPC69769
High Similarity 0.8611 NPC281207
High Similarity 0.8611 NPC475680
High Similarity 0.8611 NPC269652
High Similarity 0.8611 NPC241100
High Similarity 0.8611 NPC159275
High Similarity 0.8611 NPC235239
High Similarity 0.8611 NPC305355
High Similarity 0.8601 NPC188947
High Similarity 0.8601 NPC329225
High Similarity 0.8601 NPC278323
High Similarity 0.8601 NPC309154
High Similarity 0.8601 NPC55162
High Similarity 0.8601 NPC279668
High Similarity 0.8601 NPC90665
High Similarity 0.8601 NPC124269
High Similarity 0.8601 NPC472368
High Similarity 0.8601 NPC280284
High Similarity 0.8601 NPC118813
High Similarity 0.8601 NPC147686
High Similarity 0.8601 NPC99333
High Similarity 0.8601 NPC472460
High Similarity 0.8601 NPC12175
High Similarity 0.8592 NPC24394
High Similarity 0.8592 NPC281917
High Similarity 0.8592 NPC256042
High Similarity 0.8592 NPC187432
High Similarity 0.8592 NPC116775
High Similarity 0.8592 NPC235428
High Similarity 0.8592 NPC472367
High Similarity 0.8592 NPC87545
High Similarity 0.8592 NPC216361
High Similarity 0.8592 NPC476333
High Similarity 0.8591 NPC60413
High Similarity 0.8591 NPC151973

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  332.07
ALogP  -0.766
MLogP  3.11
XLogP  3.664
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  83.83
RO5 Violation  0