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OAKWOOD-ZINC04290911

 MMsINC code: MMs02551504
Type: Neutral
Formula: C10H20N2O2
SMILES:   OCC(NC(=O)C1CCNCC1)(C)C
InChI:   InChI=1/C10H20N2O2/c1-10(2,7-13)12-9(14)8-3-5-11-6-4-8/h8,11,13H,3-7H2,1-2H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=31.1163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.29079  SlogP: -0.1269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108436  Sterimol/B1: 1.969  Sterimol/B2: 3.4607  Sterimol/B3: 4.13735
  Sterimol/B4: 4.75296  Sterimol/L: 12.7957 
 
 Surface and Volume Properties
  Accessible surface: 417.873  Positive charged surface: 342.35  Negative charged surface: 75.5226  Volume: 208.375
  Hydrophobic surface: 292.032  Hydrophilic surface: 125.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02551505
OAKWOOD-ZINC04290911