Drug Information

Drug ID:  NPD9446
Drug Name:  N-Acetyl-D-glucosamine
Molecular Formula:  C8H15NO6
Canonical SMILES:  O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N=C(O)C
Standard InCHI:  InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1
Standard InCHIKey:  MBLBDJOUHNCFQT-LXGUWJNJSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9446

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
Remote Similarity 0.6538 NPC327486
Remote Similarity 0.6538 NPC223174
Remote Similarity 0.6538 NPC327753
Remote Similarity 0.6517 NPC292345
Remote Similarity 0.6486 NPC145627
Remote Similarity 0.64 NPC145658
Remote Similarity 0.6329 NPC477642
Remote Similarity 0.6207 NPC477730
Remote Similarity 0.619 NPC316242
Remote Similarity 0.6173 NPC477643
Remote Similarity 0.6173 NPC477641
Remote Similarity 0.6173 NPC320865
Remote Similarity 0.6118 NPC315131
Remote Similarity 0.6118 NPC473984
Remote Similarity 0.6118 NPC315535
Remote Similarity 0.6118 NPC478017
Remote Similarity 0.6104 NPC472609
Remote Similarity 0.6081 NPC473599
Remote Similarity 0.6076 NPC195165
Remote Similarity 0.6071 NPC472594
Remote Similarity 0.6056 NPC270041
Remote Similarity 0.6053 NPC327252
Remote Similarity 0.6 NPC473985
Remote Similarity 0.6 NPC474299
Remote Similarity 0.6 NPC28348
Remote Similarity 0.6 NPC475808
Remote Similarity 0.6 NPC474298
Remote Similarity 0.6 NPC68974
Remote Similarity 0.5977 NPC314466
Remote Similarity 0.5977 NPC219340
Remote Similarity 0.5974 NPC88898
Remote Similarity 0.5974 NPC106216
Remote Similarity 0.5957 NPC270005
Remote Similarity 0.5957 NPC208537
Remote Similarity 0.5955 NPC95478
Remote Similarity 0.5955 NPC145748
Remote Similarity 0.5955 NPC155670
Remote Similarity 0.5946 NPC176164
Remote Similarity 0.5946 NPC189301
Remote Similarity 0.5934 NPC477728
Remote Similarity 0.593 NPC316807
Remote Similarity 0.5915 NPC189178
Remote Similarity 0.5915 NPC263065
Remote Similarity 0.5889 NPC227051
Remote Similarity 0.5867 NPC170172
Remote Similarity 0.5867 NPC254541
Remote Similarity 0.5857 NPC224624
Remote Similarity 0.5854 NPC477200
Remote Similarity 0.5833 NPC472595
Remote Similarity 0.5821 NPC270088
Remote Similarity 0.5802 NPC473419
Remote Similarity 0.5802 NPC475127
Remote Similarity 0.5802 NPC475715
Remote Similarity 0.58 NPC188453
Remote Similarity 0.58 NPC42320
Remote Similarity 0.5769 NPC471419
Remote Similarity 0.5769 NPC163134
Remote Similarity 0.5765 NPC470782
Remote Similarity 0.5753 NPC322573
Remote Similarity 0.575 NPC118524
Remote Similarity 0.5745 NPC39290
Remote Similarity 0.5745 NPC159369
Remote Similarity 0.5745 NPC477729
Remote Similarity 0.5732 NPC478256
Remote Similarity 0.5714 NPC474014
Remote Similarity 0.5714 NPC30126
Remote Similarity 0.5714 NPC62507
Remote Similarity 0.5714 NPC477644
Remote Similarity 0.5714 NPC8087
Remote Similarity 0.5714 NPC57846
Remote Similarity 0.5696 NPC474928
Remote Similarity 0.5696 NPC160661
Remote Similarity 0.5696 NPC41429
Remote Similarity 0.5694 NPC277878
Remote Similarity 0.5679 NPC107224
Remote Similarity 0.5679 NPC306763
Remote Similarity 0.5679 NPC266242
Remote Similarity 0.5679 NPC254617
Remote Similarity 0.5679 NPC474469
Remote Similarity 0.5679 NPC74555
Remote Similarity 0.5667 NPC47135
Remote Similarity 0.5658 NPC320598
Remote Similarity 0.5638 NPC193386
Remote Similarity 0.5632 NPC314968
Remote Similarity 0.5632 NPC314772
Remote Similarity 0.5625 NPC294883
Remote Similarity 0.5625 NPC315980
Remote Similarity 0.5625 NPC12514
Remote Similarity 0.5618 NPC475542
Remote Similarity 0.5616 NPC196612
Remote Similarity 0.56 NPC8979

Drug Structure

External Identifiers

TTD   DAP000872
DrugBank   DB00141
ChEMBL   CHEMBL447878
IUPHAR/BPS  
PharmaGKB   PA164752287
KEGG Drug  
PubChem CID  
ChEBI   17411
CAS Number  7512-17-6

Drug Properties

Molecular Weight  221.09
ALogP  -2.402
MLogP  1.57
XLogP  -2.936
HDA  7
HBD  5
Rotatable Bonds  12
TPSA  130.58
RO5 Violation  0