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NANOSIN-ZINC01511816

 MMsINC code: MMs02197135
Type: Neutral
Formula: C13H14N2O3
SMILES:   O=C1N(C(C)C)C(=O)c2c1cc(NC(=O)C)cc2
InChI:   InChI=1/C13H14N2O3/c1-7(2)15-12(17)10-5-4-9(14-8(3)16)6-11(10)13(15)18/h4-7H,1-3H3,(H,14,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.2644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.266 g/mol  logS: -2.7986  SlogP: 1.6494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478929  Sterimol/B1: 2.37646  Sterimol/B2: 4.13808  Sterimol/B3: 4.30002
  Sterimol/B4: 4.86062  Sterimol/L: 15.1757 
 
 Surface and Volume Properties
  Accessible surface: 463.642  Positive charged surface: 281.436  Negative charged surface: 182.206  Volume: 229.25
  Hydrophobic surface: 305.196  Hydrophilic surface: 158.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.