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NCID-ZINC01713440

 MMsINC code: MMs02339937
Type: Neutral
Formula: C15H22N2O2
SMILES:   O=C(NC(=O)CN(C(C)C)C(C)C)c1ccccc1
InChI:   InChI=1/C15H22N2O2/c1-11(2)17(12(3)4)10-14(18)16-15(19)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -3.12505  SlogP: 2.0618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818158  Sterimol/B1: 2.06791  Sterimol/B2: 3.41289  Sterimol/B3: 4.66658
  Sterimol/B4: 6.16211  Sterimol/L: 15.7565 
 
 Surface and Volume Properties
  Accessible surface: 510.443  Positive charged surface: 318.757  Negative charged surface: 191.686  Volume: 270
  Hydrophobic surface: 380.728  Hydrophilic surface: 129.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02339938
NCID-ZINC01713440