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AURORAFEINCHEMIE-ZINC02367198

 MMsINC code: MMs00452732
Type: Neutral
Formula: C14H20N2O3
SMILES:   OC(=O)C(NC(=O)NC(CC)C)Cc1ccccc1
InChI:   InChI=1/C14H20N2O3/c1-3-10(2)15-14(19)16-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10-,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.5226 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: 0.12506  Sterimol/B1: 2.71671  Sterimol/B2: 4.39674  Sterimol/B3: 5.69205
  Sterimol/B4: 5.76419  Sterimol/L: 13.3045 
 
 Surface and Volume Properties
  Accessible surface: 522.168  Positive charged surface: 328.6  Negative charged surface: 193.568  Volume: 265.875
  Hydrophobic surface: 358.569  Hydrophilic surface: 163.599
 
 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


MMs00452733
AURORAFEINCHEMIE-ZINC02367198