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NANOSIN-ZINC00134411

 MMsINC code: MMs02190073
Type: Neutral
Formula: C9H10N2O3
SMILES:   OC(=O)c1ccc(NC(=O)NC)cc1
InChI:   InChI=1/C9H10N2O3/c1-10-9(14)11-7-4-2-6(3-5-7)8(12)13/h2-5H,1H3,(H,12,13)(H2,10,11,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.0946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.19 g/mol  logS: -1.39759  SlogP: 1.1361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01755  Sterimol/B1: 2.56338  Sterimol/B2: 2.75671  Sterimol/B3: 2.79988
  Sterimol/B4: 4.83029  Sterimol/L: 13.8849 
 
 Surface and Volume Properties
  Accessible surface: 395.268  Positive charged surface: 268.511  Negative charged surface: 126.758  Volume: 177.5
  Hydrophobic surface: 225.144  Hydrophilic surface: 170.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02190074
NANOSIN-ZINC00134411