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MAYBRIDGE-ZINC00153514

 MMsINC code: MMs02142407
Type: Neutral
Formula: C11H17NO3
SMILES:   OC(=O)C1CCN(CC1)C(=O)C1CCC1
InChI:   InChI=1/C11H17NO3/c13-10(8-2-1-3-8)12-6-4-9(5-7-12)11(14)15/h8-9H,1-7H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=19.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.261 g/mol  logS: -0.7859  SlogP: 1.1097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949595  Sterimol/B1: 2.81195  Sterimol/B2: 3.50951  Sterimol/B3: 3.68603
  Sterimol/B4: 3.91465  Sterimol/L: 13.4391 
 
 Surface and Volume Properties
  Accessible surface: 411.946  Positive charged surface: 184.766  Negative charged surface: 73.8877  Volume: 205.875
  Hydrophobic surface: 296.521  Hydrophilic surface: 115.425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02142408
MAYBRIDGE-ZINC00153514