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AURORAFEINCHEMIE-ZINC02155852

 MMsINC code: MMs00451833
Type: Neutral
Formula: C14H20N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCc1ccccc1)C)C
InChI:   InChI=1/C14H20N2O3/c1-10(8-9-12-6-4-3-5-7-12)15-14(19)16-11(2)13(17)18/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10-,11+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.0659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.28573  SlogP: 1.77997  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0558958  Sterimol/B1: 2.25491  Sterimol/B2: 2.55701  Sterimol/B3: 4.02311
  Sterimol/B4: 7.48591  Sterimol/L: 16.0928 
 
 Surface and Volume Properties
  Accessible surface: 535.965  Positive charged surface: 336.162  Negative charged surface: 199.803  Volume: 265.625
  Hydrophobic surface: 354.804  Hydrophilic surface: 181.161
 
 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


MMs00451834
AURORAFEINCHEMIE-ZINC02155852