Drug Information

Drug ID:  NPD3748
Drug Name:  Fluorescein Sodium
Molecular Formula:  C20H12O5.2Na
Canonical SMILES:  [O-]c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)[O-])ccc(=O)c1.[Na+].[Na+]
Standard InCHI:  InChI=1S/C20H12O5.2Na/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);;/q;2*+1/p-2
Standard InCHIKey:  NJDNXYGOVLYJHP-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3748

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 0.9118 NPC103001
High Similarity 0.9037 NPC66705
High Similarity 0.8986 NPC136095
High Similarity 0.8958 NPC189773
High Similarity 0.8849 NPC254994
High Similarity 0.8824 NPC292998
High Similarity 0.8794 NPC472840
High Similarity 0.8794 NPC251372
High Similarity 0.8768 NPC254741
High Similarity 0.8714 NPC473209
High Similarity 0.8705 NPC307883
High Similarity 0.8676 NPC284424
High Similarity 0.8676 NPC278556
High Similarity 0.8671 NPC131766
High Similarity 0.8633 NPC472516
High Similarity 0.863 NPC295036
High Similarity 0.8613 NPC55147
High Similarity 0.8613 NPC473655
High Similarity 0.8613 NPC54503
High Similarity 0.8613 NPC101294
High Similarity 0.8613 NPC182428
High Similarity 0.8592 NPC24075
High Similarity 0.8582 NPC155552
High Similarity 0.8582 NPC41721
High Similarity 0.8571 NPC253616
High Similarity 0.8571 NPC157855
High Similarity 0.8571 NPC228661
High Similarity 0.8561 NPC315807
High Similarity 0.8561 NPC104796
High Similarity 0.8551 NPC223354
High Similarity 0.854 NPC113006
High Similarity 0.854 NPC307289
High Similarity 0.854 NPC19157
High Similarity 0.8521 NPC474037
High Similarity 0.8511 NPC17848
High Similarity 0.8511 NPC36414
High Similarity 0.8511 NPC71903
High Similarity 0.8503 NPC474660
High Similarity 0.8503 NPC470107
High Similarity 0.8503 NPC473466
High Similarity 0.85 NPC268081
High Similarity 0.85 NPC161196
Intermediate Similarity 0.8489 NPC125269
Intermediate Similarity 0.8489 NPC172262
Intermediate Similarity 0.8483 NPC473927
Intermediate Similarity 0.8483 NPC154217
Intermediate Similarity 0.8472 NPC295696
Intermediate Similarity 0.8472 NPC71739
Intermediate Similarity 0.8472 NPC189650
Intermediate Similarity 0.8472 NPC184702
Intermediate Similarity 0.8467 NPC137264
Intermediate Similarity 0.8467 NPC474983
Intermediate Similarity 0.8462 NPC297985
Intermediate Similarity 0.8462 NPC471644
Intermediate Similarity 0.8462 NPC105648
Intermediate Similarity 0.8462 NPC471640
Intermediate Similarity 0.8451 NPC170812
Intermediate Similarity 0.8451 NPC310370
Intermediate Similarity 0.8451 NPC472515
Intermediate Similarity 0.8451 NPC183642
Intermediate Similarity 0.8451 NPC472523
Intermediate Similarity 0.844 NPC250266
Intermediate Similarity 0.844 NPC332594
Intermediate Similarity 0.844 NPC266597
Intermediate Similarity 0.8435 NPC65775
Intermediate Similarity 0.8435 NPC146014
Intermediate Similarity 0.8435 NPC10027
Intermediate Similarity 0.8435 NPC164299
Intermediate Similarity 0.8433 NPC2771
Intermediate Similarity 0.8429 NPC9985
Intermediate Similarity 0.8429 NPC239495
Intermediate Similarity 0.8429 NPC99854
Intermediate Similarity 0.8425 NPC142863
Intermediate Similarity 0.8425 NPC140120
Intermediate Similarity 0.8425 NPC180477
Intermediate Similarity 0.8417 NPC50898
Intermediate Similarity 0.8417 NPC78540
Intermediate Similarity 0.8417 NPC274121
Intermediate Similarity 0.8417 NPC57601
Intermediate Similarity 0.8417 NPC213216
Intermediate Similarity 0.8414 NPC29577
Intermediate Similarity 0.8414 NPC1886
Intermediate Similarity 0.8414 NPC32470
Intermediate Similarity 0.8414 NPC469953
Intermediate Similarity 0.8414 NPC196137
Intermediate Similarity 0.8414 NPC179970
Intermediate Similarity 0.8414 NPC134621
Intermediate Similarity 0.8406 NPC175159
Intermediate Similarity 0.8403 NPC36181
Intermediate Similarity 0.8403 NPC471643
Intermediate Similarity 0.8403 NPC471639
Intermediate Similarity 0.8403 NPC202981
Intermediate Similarity 0.8403 NPC310340
Intermediate Similarity 0.8394 NPC115998
Intermediate Similarity 0.8394 NPC228184
Intermediate Similarity 0.8394 NPC39753
Intermediate Similarity 0.8392 NPC261227
Intermediate Similarity 0.8392 NPC220106
Intermediate Similarity 0.8392 NPC472409
Intermediate Similarity 0.8392 NPC275734
Intermediate Similarity 0.8392 NPC270883
Intermediate Similarity 0.8392 NPC172986
Intermediate Similarity 0.8392 NPC171094
Intermediate Similarity 0.8382 NPC475017
Intermediate Similarity 0.8382 NPC125887
Intermediate Similarity 0.838 NPC201395
Intermediate Similarity 0.8369 NPC127447
Intermediate Similarity 0.8369 NPC29353
Intermediate Similarity 0.8369 NPC124784
Intermediate Similarity 0.8369 NPC47815
Intermediate Similarity 0.8369 NPC473887
Intermediate Similarity 0.8369 NPC72452
Intermediate Similarity 0.8369 NPC234133
Intermediate Similarity 0.8369 NPC194281
Intermediate Similarity 0.8369 NPC231772
Intermediate Similarity 0.8369 NPC61546
Intermediate Similarity 0.8369 NPC13408
Intermediate Similarity 0.8367 NPC161864
Intermediate Similarity 0.8367 NPC146388
Intermediate Similarity 0.8367 NPC208303
Intermediate Similarity 0.8358 NPC107846
Intermediate Similarity 0.8357 NPC248872
Intermediate Similarity 0.8356 NPC57470
Intermediate Similarity 0.8356 NPC237208
Intermediate Similarity 0.8356 NPC267509
Intermediate Similarity 0.8356 NPC181388
Intermediate Similarity 0.8356 NPC470322
Intermediate Similarity 0.8345 NPC470932
Intermediate Similarity 0.8345 NPC472524
Intermediate Similarity 0.8345 NPC87609
Intermediate Similarity 0.8345 NPC95123
Intermediate Similarity 0.8345 NPC112791
Intermediate Similarity 0.8345 NPC59522
Intermediate Similarity 0.8345 NPC196459
Intermediate Similarity 0.8345 NPC219915
Intermediate Similarity 0.8345 NPC188632
Intermediate Similarity 0.8345 NPC66404
Intermediate Similarity 0.8345 NPC11700
Intermediate Similarity 0.8345 NPC94794
Intermediate Similarity 0.8345 NPC470216
Intermediate Similarity 0.8345 NPC38219
Intermediate Similarity 0.8345 NPC470296
Intermediate Similarity 0.8333 NPC103362
Intermediate Similarity 0.8333 NPC205006
Intermediate Similarity 0.8333 NPC147688
Intermediate Similarity 0.8333 NPC250755
Intermediate Similarity 0.8333 NPC156590
Intermediate Similarity 0.8333 NPC64908
Intermediate Similarity 0.8333 NPC118840
Intermediate Similarity 0.8333 NPC254010
Intermediate Similarity 0.8333 NPC110969
Intermediate Similarity 0.8333 NPC472517
Intermediate Similarity 0.8333 NPC14871
Intermediate Similarity 0.8333 NPC301717
Intermediate Similarity 0.8322 NPC261234
Intermediate Similarity 0.8322 NPC216978
Intermediate Similarity 0.8322 NPC18260
Intermediate Similarity 0.8322 NPC317715
Intermediate Similarity 0.8322 NPC301217
Intermediate Similarity 0.8322 NPC220062
Intermediate Similarity 0.8322 NPC11566
Intermediate Similarity 0.8322 NPC96565
Intermediate Similarity 0.8322 NPC39819
Intermediate Similarity 0.8322 NPC316480
Intermediate Similarity 0.8322 NPC148945
Intermediate Similarity 0.8322 NPC258249
Intermediate Similarity 0.8322 NPC262635
Intermediate Similarity 0.8322 NPC109007
Intermediate Similarity 0.8322 NPC204561
Intermediate Similarity 0.8322 NPC55018
Intermediate Similarity 0.8322 NPC303633
Intermediate Similarity 0.8322 NPC78835
Intermediate Similarity 0.8322 NPC309512
Intermediate Similarity 0.8322 NPC78913
Intermediate Similarity 0.8322 NPC316960
Intermediate Similarity 0.8321 NPC197425
Intermediate Similarity 0.8321 NPC211120
Intermediate Similarity 0.8311 NPC474648
Intermediate Similarity 0.8311 NPC6923
Intermediate Similarity 0.8311 NPC469932
Intermediate Similarity 0.8311 NPC70764
Intermediate Similarity 0.8311 NPC473978
Intermediate Similarity 0.831 NPC290291
Intermediate Similarity 0.831 NPC209560
Intermediate Similarity 0.831 NPC7013
Intermediate Similarity 0.831 NPC259685
Intermediate Similarity 0.831 NPC275055
Intermediate Similarity 0.831 NPC116632
Intermediate Similarity 0.831 NPC303644
Intermediate Similarity 0.831 NPC181124
Intermediate Similarity 0.831 NPC221046
Intermediate Similarity 0.831 NPC294409
Intermediate Similarity 0.831 NPC162680
Intermediate Similarity 0.831 NPC299379
Intermediate Similarity 0.831 NPC38153
Intermediate Similarity 0.8309 NPC264428
Intermediate Similarity 0.8309 NPC49852
Intermediate Similarity 0.8309 NPC475496
Intermediate Similarity 0.8299 NPC237635
Intermediate Similarity 0.8299 NPC201731

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  330.05
ALogP  -1.7776
MLogP  3.11
XLogP  3.183
HDA  3
HBD  0
Rotatable Bonds  4
TPSA  89.49
RO5 Violation  0