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PUBCHEM-ZINC06564293

 MMsINC code: MMs03798469
Type: Neutral
Formula: C14H20N2O3
SMILES:   OC(=O)C(NC(=O)NC(C)c1ccccc1)C(C)C
InChI:   InChI=1/C14H20N2O3/c1-9(2)12(13(17)18)16-14(19)15-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,17,18)(H2,15,16,19)/t10-,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.42603  SlogP: 2.2515  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0664516  Sterimol/B1: 2.55843  Sterimol/B2: 2.97555  Sterimol/B3: 3.89789
  Sterimol/B4: 6.41873  Sterimol/L: 15.0992 
 
 Surface and Volume Properties
  Accessible surface: 500.673  Positive charged surface: 319.107  Negative charged surface: 181.566  Volume: 264.125
  Hydrophobic surface: 321.333  Hydrophilic surface: 179.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03798470
PUBCHEM-ZINC06564293