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AURORAFEINCHEMIE-ZINC02377413

 MMsINC code: MMs00452772
Type: Neutral
Formula: C15H22N2O3
SMILES:   OC(=O)C(NC(=O)N(Cc1ccccc1)C)CC(C)C
InChI:   InChI=1/C15H22N2O3/c1-11(2)9-13(14(18)19)16-15(20)17(3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.352 g/mol  logS: -2.8215  SlogP: 2.5937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963489  Sterimol/B1: 2.59383  Sterimol/B2: 3.38423  Sterimol/B3: 4.24757
  Sterimol/B4: 6.57524  Sterimol/L: 15.0363 
 
 Surface and Volume Properties
  Accessible surface: 539.715  Positive charged surface: 359.958  Negative charged surface: 179.757  Volume: 283.375
  Hydrophobic surface: 384.696  Hydrophilic surface: 155.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00452773
AURORAFEINCHEMIE-ZINC02377413