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CHEMBRIDGE-ZINC02756205

 MMsINC code: MMs00715532
Type: Neutral
Formula: C10H18N2O3
SMILES:   O(C(=O)C(=O)N1CCN(CC1)CC)CC
InChI:   InChI=1/C10H18N2O3/c1-3-11-5-7-12(8-6-11)9(13)10(14)15-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.7197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.76644  SlogP: -0.2864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049498  Sterimol/B1: 2.30291  Sterimol/B2: 3.17784  Sterimol/B3: 3.25365
  Sterimol/B4: 5.78348  Sterimol/L: 15.0326 
 
 Surface and Volume Properties
  Accessible surface: 450.639  Positive charged surface: 354.421  Negative charged surface: 96.2186  Volume: 214.75
  Hydrophobic surface: 330.348  Hydrophilic surface: 120.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00715533
CHEMBRIDGE-ZINC02756205