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PUBCHEM-ZINC04682266

 MMsINC code: MMs03155663
Type: Neutral
Formula: C14H20N2O3
SMILES:   OCC(NC(=O)C(=O)NC(C)c1ccccc1)CC
InChI:   InChI=1/C14H20N2O3/c1-3-12(9-17)16-14(19)13(18)15-10(2)11-7-5-4-6-8-11/h4-8,10,12,17H,3,9H2,1-2H3,(H,15,18)(H,16,19)/t10-,12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.35723  SlogP: 0.8464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875975  Sterimol/B1: 2.20678  Sterimol/B2: 3.27488  Sterimol/B3: 4.34859
  Sterimol/B4: 5.65182  Sterimol/L: 15.3171 
 
 Surface and Volume Properties
  Accessible surface: 526.244  Positive charged surface: 349.794  Negative charged surface: 176.45  Volume: 264.5
  Hydrophobic surface: 370.745  Hydrophilic surface: 155.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.