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ACROSORGANICS-ZINC02387091

 MMsINC code: MMs00013551
Type: Neutral
Formula: C14H19NO4
SMILES:   OC(=O)C(NC(=O)c1ccccc1)(CC(C)C)CO
InChI:   InChI=1/C14H19NO4/c1-10(2)8-14(9-16,13(18)19)15-12(17)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17)(H,18,19)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.0921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.309 g/mol  logS: -2.88373  SlogP: 1.2782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121445  Sterimol/B1: 2.51796  Sterimol/B2: 4.00994  Sterimol/B3: 4.65334
  Sterimol/B4: 5.78821  Sterimol/L: 14.743 
 
 Surface and Volume Properties
  Accessible surface: 490.317  Positive charged surface: 302.686  Negative charged surface: 187.631  Volume: 254.25
  Hydrophobic surface: 324.654  Hydrophilic surface: 165.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00013552
ACROSORGANICS-ZINC02387091