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CHEMDIV-ZINC06836680

 MMsINC code: MMs01045205
Type: Neutral
Formula: C19H20N2O2
SMILES:   o1nc(c2c1cccc2)CC(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C19H20N2O2/c1-14(11-12-15-7-3-2-4-8-15)20-19(22)13-17-16-9-5-6-10-18(16)23-21-17/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=55.0406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -4.59678  SlogP: 3.50774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722874  Sterimol/B1: 1.969  Sterimol/B2: 2.9756  Sterimol/B3: 4.59929
  Sterimol/B4: 8.36098  Sterimol/L: 17.7365 
 
 Surface and Volume Properties
  Accessible surface: 587.606  Positive charged surface: 342.42  Negative charged surface: 242.122  Volume: 311.75
  Hydrophobic surface: 511.873  Hydrophilic surface: 75.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.