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APOLLO-ZINC00153953

 MMsINC code: MMs00044173
Type: Neutral
Formula: C12H24N2O2
SMILES:   O(C(C)(C)C)C(=O)NC1CCC(CC1)CN
InChI:   InChI=1/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-

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Potential Energy
Epot(MMFF94)=16.2207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -1.54517  SlogP: 2.0286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651815  Sterimol/B1: 1.969  Sterimol/B2: 3.33319  Sterimol/B3: 3.45051
  Sterimol/B4: 5.72689  Sterimol/L: 15.4295 
 
 Surface and Volume Properties
  Accessible surface: 489.082  Positive charged surface: 384.203  Negative charged surface: 104.878  Volume: 243.75
  Hydrophobic surface: 330.165  Hydrophilic surface: 158.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00044174
APOLLO-ZINC00153953