Drug Information

Drug ID:  NPD9455
Drug Name:  Miglitol
Molecular Formula:  C8H17NO5
Canonical SMILES:  OCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O
Standard InCHI:  InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
Standard InCHIKey:  IBAQFPQHRJAVAV-ULAWRXDQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9455

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 0.9483 NPC471419
High Similarity 0.9483 NPC163134
High Similarity 0.9464 NPC170172
High Similarity 0.8793 NPC233364
High Similarity 0.8793 NPC471421
High Similarity 0.8667 NPC2432
High Similarity 0.8667 NPC218150
High Similarity 0.8667 NPC69669
High Similarity 0.8667 NPC306462
High Similarity 0.8667 NPC150680
High Similarity 0.8667 NPC22774
High Similarity 0.8571 NPC471418
High Similarity 0.8571 NPC34291
High Similarity 0.8571 NPC126664
Intermediate Similarity 0.8438 NPC268922
Intermediate Similarity 0.8387 NPC75435
Intermediate Similarity 0.8387 NPC142290
Intermediate Similarity 0.8387 NPC471780
Intermediate Similarity 0.8387 NPC198341
Intermediate Similarity 0.8387 NPC223386
Intermediate Similarity 0.8387 NPC471892
Intermediate Similarity 0.8254 NPC286851
Intermediate Similarity 0.8254 NPC303798
Intermediate Similarity 0.8254 NPC315980
Intermediate Similarity 0.8182 NPC476695
Intermediate Similarity 0.8182 NPC476694
Intermediate Similarity 0.8182 NPC476696
Intermediate Similarity 0.8167 NPC143809
Intermediate Similarity 0.8167 NPC290106
Intermediate Similarity 0.8167 NPC76726
Intermediate Similarity 0.8167 NPC193593
Intermediate Similarity 0.8095 NPC233034
Intermediate Similarity 0.7705 NPC204709
Intermediate Similarity 0.7647 NPC28959
Intermediate Similarity 0.7647 NPC299603
Intermediate Similarity 0.7647 NPC285014
Intermediate Similarity 0.7647 NPC255535
Intermediate Similarity 0.7647 NPC137554
Intermediate Similarity 0.7639 NPC150557
Intermediate Similarity 0.75 NPC163538
Intermediate Similarity 0.75 NPC275727
Intermediate Similarity 0.75 NPC115800
Intermediate Similarity 0.7463 NPC474469
Intermediate Similarity 0.7463 NPC171850
Intermediate Similarity 0.7432 NPC471420
Intermediate Similarity 0.7397 NPC98750
Intermediate Similarity 0.7353 NPC473419
Intermediate Similarity 0.7353 NPC475715
Intermediate Similarity 0.7353 NPC475127
Intermediate Similarity 0.7313 NPC184150
Intermediate Similarity 0.7313 NPC141156
Intermediate Similarity 0.7297 NPC70574
Intermediate Similarity 0.7246 NPC473710
Intermediate Similarity 0.7246 NPC475694
Intermediate Similarity 0.7206 NPC266242
Intermediate Similarity 0.7206 NPC74555
Intermediate Similarity 0.7206 NPC254617
Intermediate Similarity 0.7206 NPC306763
Intermediate Similarity 0.7164 NPC116377
Intermediate Similarity 0.7164 NPC294883
Intermediate Similarity 0.7164 NPC101746
Intermediate Similarity 0.7164 NPC12514
Intermediate Similarity 0.7164 NPC473952
Intermediate Similarity 0.7164 NPC69798
Intermediate Similarity 0.7164 NPC77191
Intermediate Similarity 0.7105 NPC271772
Intermediate Similarity 0.7105 NPC36927
Intermediate Similarity 0.7077 NPC62507
Intermediate Similarity 0.7077 NPC8087
Intermediate Similarity 0.7059 NPC59221
Intermediate Similarity 0.7049 NPC178263
Intermediate Similarity 0.7049 NPC277072
Intermediate Similarity 0.7042 NPC474468
Remote Similarity 0.6962 NPC469363
Remote Similarity 0.6842 NPC100204
Remote Similarity 0.6842 NPC83248
Remote Similarity 0.6818 NPC474014
Remote Similarity 0.6818 NPC57846
Remote Similarity 0.6818 NPC30126
Remote Similarity 0.6765 NPC474928
Remote Similarity 0.6765 NPC472609
Remote Similarity 0.6761 NPC223174
Remote Similarity 0.6761 NPC327753
Remote Similarity 0.6761 NPC327486
Remote Similarity 0.6719 NPC293551
Remote Similarity 0.6719 NPC10262
Remote Similarity 0.6719 NPC311668
Remote Similarity 0.6719 NPC65832
Remote Similarity 0.6582 NPC165119
Remote Similarity 0.6571 NPC322801
Remote Similarity 0.6571 NPC129100
Remote Similarity 0.6571 NPC291650
Remote Similarity 0.6538 NPC219340
Remote Similarity 0.6486 NPC315806
Remote Similarity 0.6471 NPC145627
Remote Similarity 0.6462 NPC8979
Remote Similarity 0.6364 NPC314968
Remote Similarity 0.6364 NPC314772
Remote Similarity 0.6282 NPC316807
Remote Similarity 0.6265 NPC306838
Remote Similarity 0.625 NPC107224
Remote Similarity 0.625 NPC272396
Remote Similarity 0.6216 NPC306973
Remote Similarity 0.6164 NPC23721
Remote Similarity 0.6154 NPC471423
Remote Similarity 0.6154 NPC471442
Remote Similarity 0.6087 NPC112398
Remote Similarity 0.6029 NPC319991
Remote Similarity 0.6027 NPC195165
Remote Similarity 0.6026 NPC329077
Remote Similarity 0.6 NPC270041
Remote Similarity 0.6 NPC313821
Remote Similarity 0.6 NPC318258
Remote Similarity 0.5974 NPC470993
Remote Similarity 0.5974 NPC470992
Remote Similarity 0.597 NPC471605
Remote Similarity 0.597 NPC471443
Remote Similarity 0.5921 NPC185084
Remote Similarity 0.5897 NPC477002
Remote Similarity 0.5862 NPC266553
Remote Similarity 0.5854 NPC81006
Remote Similarity 0.5854 NPC315969
Remote Similarity 0.5846 NPC123814
Remote Similarity 0.5818 NPC66052
Remote Similarity 0.5818 NPC192065
Remote Similarity 0.5818 NPC325034
Remote Similarity 0.5818 NPC86412
Remote Similarity 0.5818 NPC293908
Remote Similarity 0.5814 NPC52533
Remote Similarity 0.5806 NPC81384
Remote Similarity 0.5802 NPC90839
Remote Similarity 0.5789 NPC477200
Remote Similarity 0.5783 NPC263058
Remote Similarity 0.5781 NPC224624
Remote Similarity 0.5775 NPC17455
Remote Similarity 0.5714 NPC121062
Remote Similarity 0.5714 NPC96966
Remote Similarity 0.5714 NPC55274
Remote Similarity 0.5714 NPC474627
Remote Similarity 0.5714 NPC29326
Remote Similarity 0.5714 NPC29222
Remote Similarity 0.5714 NPC328786
Remote Similarity 0.5714 NPC201338
Remote Similarity 0.5699 NPC315170
Remote Similarity 0.5696 NPC244539
Remote Similarity 0.5663 NPC288415
Remote Similarity 0.5663 NPC45906
Remote Similarity 0.5663 NPC31313
Remote Similarity 0.5663 NPC149908
Remote Similarity 0.5647 NPC476523
Remote Similarity 0.5641 NPC26932
Remote Similarity 0.5625 NPC313762
Remote Similarity 0.5616 NPC160661
Remote Similarity 0.5606 NPC474322
Remote Similarity 0.56 NPC316445

Drug Structure

External Identifiers

TTD   DAP000712
DrugBank   DB00491
ChEMBL   CHEMBL1561
IUPHAR/BPS   4842
PharmaGKB   PA164776726
KEGG Drug   D00625
PubChem CID   441314
ChEBI   6935
CAS Number  72432-03-2

Drug Properties

Molecular Weight  207.11
ALogP  -2.4435
MLogP  1.68
XLogP  -2.257
HDA  6
HBD  5
Rotatable Bonds  8
TPSA  104.39
RO5 Violation  0