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PUBCHEM-ZINC00056729

 MMsINC code: MMs02630720
Type: Neutral
Formula: C16H22N2O3
SMILES:   O=C1N(C)C(N(C1)C(OCc1ccccc1)=O)C(C)(C)C
InChI:   InChI=1/C16H22N2O3/c1-16(2,3)14-17(4)13(19)10-18(14)15(20)21-11-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=91.8938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.363 g/mol  logS: -2.53051  SlogP: 2.7358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0894811  Sterimol/B1: 2.23362  Sterimol/B2: 3.71741  Sterimol/B3: 5.25224
  Sterimol/B4: 6.01217  Sterimol/L: 15.1535 
 
 Surface and Volume Properties
  Accessible surface: 534.272  Positive charged surface: 357.703  Negative charged surface: 176.57  Volume: 289
  Hydrophobic surface: 417.294  Hydrophilic surface: 116.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.