Drug Information

Drug ID:  NPD5401
Drug Name:  Cromolyn Sodium
Molecular Formula:  C23H16O11.2Na
Canonical SMILES:  OC(COc1cccc2c1c(=O)cc(o2)C(=O)[O-])COc1cccc2c1c(=O)cc(o2)C(=O)[O-].[Na+].[Na+]
Standard InCHI:  InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2
Standard InCHIKey:  VLARUOGDXDTHEH-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5401

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 0.8874 NPC473241
High Similarity 0.8831 NPC85707
High Similarity 0.8831 NPC129217
High Similarity 0.8831 NPC159579
High Similarity 0.8831 NPC224530
High Similarity 0.8831 NPC259957
High Similarity 0.8831 NPC282169
High Similarity 0.8831 NPC216496
High Similarity 0.8831 NPC48093
High Similarity 0.8792 NPC477941
High Similarity 0.8784 NPC129650
High Similarity 0.8782 NPC205824
High Similarity 0.8782 NPC19240
High Similarity 0.8782 NPC85751
High Similarity 0.8782 NPC129264
High Similarity 0.8774 NPC27942
High Similarity 0.8758 NPC54802
High Similarity 0.8758 NPC133671
High Similarity 0.8758 NPC77672
High Similarity 0.8758 NPC135391
High Similarity 0.8758 NPC78263
High Similarity 0.8758 NPC197304
High Similarity 0.8718 NPC80068
High Similarity 0.8718 NPC121703
High Similarity 0.8716 NPC1940
High Similarity 0.8716 NPC148011
High Similarity 0.8707 NPC470216
High Similarity 0.8701 NPC320283
High Similarity 0.8701 NPC472459
High Similarity 0.8701 NPC111929
High Similarity 0.8701 NPC104677
High Similarity 0.8701 NPC41121
High Similarity 0.8701 NPC43761
High Similarity 0.8693 NPC307938
High Similarity 0.8693 NPC323593
High Similarity 0.8693 NPC203500
High Similarity 0.8684 NPC268193
High Similarity 0.8681 NPC287068
High Similarity 0.8675 NPC295650
High Similarity 0.8662 NPC139060
High Similarity 0.8662 NPC72016
High Similarity 0.8658 NPC211466
High Similarity 0.8658 NPC40086
High Similarity 0.8658 NPC44721
High Similarity 0.8658 NPC176869
High Similarity 0.8658 NPC3779
High Similarity 0.8658 NPC302989
High Similarity 0.8658 NPC122828
High Similarity 0.8658 NPC476182
High Similarity 0.8649 NPC279417
High Similarity 0.8649 NPC326506
High Similarity 0.8649 NPC4152
High Similarity 0.8649 NPC142731
High Similarity 0.8649 NPC306607
High Similarity 0.8649 NPC62290
High Similarity 0.8649 NPC208176
High Similarity 0.8649 NPC49130
High Similarity 0.8645 NPC470405
High Similarity 0.8645 NPC304741
High Similarity 0.8645 NPC471079
High Similarity 0.8636 NPC182634
High Similarity 0.8636 NPC288084
High Similarity 0.8636 NPC108831
High Similarity 0.863 NPC474037
High Similarity 0.8627 NPC237560
High Similarity 0.8627 NPC304745
High Similarity 0.8627 NPC470681
High Similarity 0.8627 NPC111341
High Similarity 0.8609 NPC131874
High Similarity 0.8608 NPC64425
High Similarity 0.8601 NPC66705
High Similarity 0.86 NPC211811
High Similarity 0.86 NPC22137
High Similarity 0.8592 NPC128216
High Similarity 0.8591 NPC229190
High Similarity 0.8591 NPC153758
High Similarity 0.859 NPC276377
High Similarity 0.859 NPC195685
High Similarity 0.859 NPC64305
High Similarity 0.859 NPC249281
High Similarity 0.859 NPC210961
High Similarity 0.859 NPC116458
High Similarity 0.859 NPC253788
High Similarity 0.859 NPC477628
High Similarity 0.859 NPC270675
High Similarity 0.859 NPC163242
High Similarity 0.859 NPC173582
High Similarity 0.859 NPC470125
High Similarity 0.859 NPC477629
High Similarity 0.859 NPC476215
High Similarity 0.859 NPC472994
High Similarity 0.859 NPC170052
High Similarity 0.859 NPC215710
High Similarity 0.859 NPC181465
High Similarity 0.859 NPC246943
High Similarity 0.859 NPC473438
High Similarity 0.859 NPC135846
High Similarity 0.859 NPC265885
High Similarity 0.859 NPC297987
High Similarity 0.859 NPC139320
High Similarity 0.8582 NPC137264
High Similarity 0.8571 NPC136840
High Similarity 0.8571 NPC150023
High Similarity 0.8571 NPC45165
High Similarity 0.8562 NPC143851
High Similarity 0.8562 NPC96605
High Similarity 0.8562 NPC39360
High Similarity 0.8562 NPC83283
High Similarity 0.8562 NPC470712
High Similarity 0.8562 NPC280642
High Similarity 0.8562 NPC29763
High Similarity 0.8562 NPC218161
High Similarity 0.8562 NPC136095
High Similarity 0.8562 NPC164704
High Similarity 0.8562 NPC88983
High Similarity 0.8562 NPC210003
High Similarity 0.8561 NPC41721
High Similarity 0.8553 NPC471289
High Similarity 0.8553 NPC209846
High Similarity 0.8553 NPC328740
High Similarity 0.8553 NPC289774
High Similarity 0.8553 NPC477897
High Similarity 0.8553 NPC470771
High Similarity 0.8543 NPC164299
High Similarity 0.8535 NPC240306
High Similarity 0.8535 NPC150164
High Similarity 0.8526 NPC471744
High Similarity 0.8526 NPC153342
High Similarity 0.8526 NPC187379
High Similarity 0.8526 NPC136761
High Similarity 0.8526 NPC306978
High Similarity 0.8516 NPC258035
High Similarity 0.8516 NPC156457
High Similarity 0.8516 NPC313163
High Similarity 0.8516 NPC197896
High Similarity 0.8516 NPC161749
High Similarity 0.8516 NPC117478
High Similarity 0.8516 NPC43638
High Similarity 0.8511 NPC39753
High Similarity 0.8511 NPC228184
High Similarity 0.8511 NPC115998
High Similarity 0.8509 NPC470714
High Similarity 0.8509 NPC470716
High Similarity 0.8509 NPC221288
High Similarity 0.8509 NPC470715
High Similarity 0.8509 NPC217822
High Similarity 0.8509 NPC101399
High Similarity 0.8509 NPC474522
High Similarity 0.8509 NPC11847
High Similarity 0.8506 NPC217706
High Similarity 0.8506 NPC48579
High Similarity 0.8506 NPC27408
High Similarity 0.8506 NPC304207
High Similarity 0.8506 NPC95090
High Similarity 0.8506 NPC207809
High Similarity 0.8506 NPC477530
High Similarity 0.8506 NPC259710
High Similarity 0.8503 NPC59951
High Similarity 0.8503 NPC146679
High Similarity 0.8503 NPC230285
High Similarity 0.8503 NPC184536
High Similarity 0.8503 NPC269652
High Similarity 0.8503 NPC103342
High Similarity 0.8503 NPC281207
High Similarity 0.8503 NPC103904
Intermediate Similarity 0.8497 NPC56232
Intermediate Similarity 0.8497 NPC161881
Intermediate Similarity 0.8497 NPC244583
Intermediate Similarity 0.8497 NPC10807
Intermediate Similarity 0.8497 NPC243171
Intermediate Similarity 0.8497 NPC259767
Intermediate Similarity 0.8497 NPC150123
Intermediate Similarity 0.8497 NPC171651
Intermediate Similarity 0.8497 NPC35567
Intermediate Similarity 0.8497 NPC88484
Intermediate Similarity 0.8493 NPC276905
Intermediate Similarity 0.8487 NPC124478
Intermediate Similarity 0.8487 NPC177308
Intermediate Similarity 0.8483 NPC72452
Intermediate Similarity 0.8483 NPC61546
Intermediate Similarity 0.8481 NPC66087
Intermediate Similarity 0.8481 NPC278419
Intermediate Similarity 0.8481 NPC179198
Intermediate Similarity 0.8477 NPC218569
Intermediate Similarity 0.8472 NPC248872
Intermediate Similarity 0.8471 NPC97812
Intermediate Similarity 0.8471 NPC101636
Intermediate Similarity 0.8471 NPC112418
Intermediate Similarity 0.8462 NPC187792
Intermediate Similarity 0.8462 NPC73511
Intermediate Similarity 0.8456 NPC10302
Intermediate Similarity 0.8456 NPC105381
Intermediate Similarity 0.8452 NPC127406
Intermediate Similarity 0.8452 NPC295613
Intermediate Similarity 0.8452 NPC471787
Intermediate Similarity 0.8452 NPC154341
Intermediate Similarity 0.8452 NPC170475
Intermediate Similarity 0.8452 NPC473657
Intermediate Similarity 0.8447 NPC277532
Intermediate Similarity 0.8447 NPC20505

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  466.05
ALogP  -3.6381
MLogP  2.78
XLogP  0.738
HDA  7
HBD  1
Rotatable Bonds  11
TPSA  171.55
RO5 Violation  0