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IBS-ZINC00494161

 MMsINC code: MMs01739118
Type: Neutral
Formula: C13H12N2O3
SMILES:   OC=1c2c(NC(=O)C=1C(=O)NC1CC1)cccc2
InChI:   InChI=1/C13H12N2O3/c16-11-8-3-1-2-4-9(8)15-13(18)10(11)12(17)14-7-5-6-7/h1-4,7H,5-6H2,(H,14,17)(H2,15,16,18)

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Potential Energy
Epot(MMFF94)=46.1169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.25 g/mol  logS: -2.62381  SlogP: 1.1864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453503  Sterimol/B1: 2.56014  Sterimol/B2: 3.15018  Sterimol/B3: 3.93397
  Sterimol/B4: 6.19217  Sterimol/L: 14.5988 
 
 Surface and Volume Properties
  Accessible surface: 457.402  Positive charged surface: 264.894  Negative charged surface: 192.508  Volume: 225.625
  Hydrophobic surface: 276.877  Hydrophilic surface: 180.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.