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ASINEX-ZINC00260069

 MMsINC code: MMs00101648
Type: Neutral
Formula: C14H14N2O3
SMILES:   o1cccc1C(=O)NNC(=O)CCc1ccccc1
InChI:   InChI=1/C14H14N2O3/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=52.6901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.277 g/mol  logS: -3.27836  SlogP: 1.67337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383538  Sterimol/B1: 3.23437  Sterimol/B2: 3.61692  Sterimol/B3: 3.62215
  Sterimol/B4: 4.05408  Sterimol/L: 18.4046 
 
 Surface and Volume Properties
  Accessible surface: 514.576  Positive charged surface: 279.285  Negative charged surface: 235.291  Volume: 247.625
  Hydrophobic surface: 395.495  Hydrophilic surface: 119.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.