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OAKWOOD-ZINC04202985

 MMsINC code: MMs02548101
Type: Neutral
Formula: C11H23N3O2
SMILES:   O(C(C)(C)C)C(=O)N1CCN(CC1)CCN
InChI:   InChI=1/C11H23N3O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9,12H2,1-3H3

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Potential Energy
Epot(MMFF94)=49.0491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.324 g/mol  logS: -0.45366  SlogP: 0.4978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717712  Sterimol/B1: 2.50926  Sterimol/B2: 3.62671  Sterimol/B3: 4.43851
  Sterimol/B4: 4.61762  Sterimol/L: 14.8417 
 
 Surface and Volume Properties
  Accessible surface: 483.084  Positive charged surface: 400.32  Negative charged surface: 82.7635  Volume: 239.25
  Hydrophobic surface: 342.429  Hydrophilic surface: 140.655
 
 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


MMs02548102
OAKWOOD-ZINC04202985