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CHEMBRIDGE-ZINC02796086

 MMsINC code: MMs00716670
Type: Neutral
Formula: C15H14N2O3
SMILES:   o1cccc1C(=O)NNC(=O)C1CC1c1ccccc1
InChI:   InChI=1/C15H14N2O3/c18-14(16-17-15(19)13-7-4-8-20-13)12-9-11(12)10-5-2-1-3-6-10/h1-8,11-12H,9H2,(H,16,18)(H,17,19)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=89.68 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -3.37809  SlogP: 1.8443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561597  Sterimol/B1: 2.55334  Sterimol/B2: 3.31921  Sterimol/B3: 3.52875
  Sterimol/B4: 7.45756  Sterimol/L: 14.9397 
 
 Surface and Volume Properties
  Accessible surface: 517.353  Positive charged surface: 283.36  Negative charged surface: 233.993  Volume: 257.25
  Hydrophobic surface: 398.202  Hydrophilic surface: 119.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.