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IBS-ZINC00175566

 MMsINC code: MMs01731214
Type: Neutral
Formula: C15H24N2O2
SMILES:   OC(CCC)(CCC)C(=O)NNc1ccc(cc1)C
InChI:   InChI=1/C15H24N2O2/c1-4-10-15(19,11-5-2)14(18)17-16-13-8-6-12(3)7-9-13/h6-9,16,19H,4-5,10-11H2,1-3H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.0821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -3.64404  SlogP: 2.76942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706781  Sterimol/B1: 2.09882  Sterimol/B2: 2.848  Sterimol/B3: 4.09281
  Sterimol/B4: 7.32094  Sterimol/L: 16.9699 
 
 Surface and Volume Properties
  Accessible surface: 546.674  Positive charged surface: 361.197  Negative charged surface: 185.477  Volume: 281.25
  Hydrophobic surface: 420.957  Hydrophilic surface: 125.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.