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PUBCHEM-ZINC05793980

 MMsINC code: MMs03388885
Type: Neutral
Formula: C9H17NO3
SMILES:   O(C(=O)C(=O)NC(CCC)C)CC
InChI:   InChI=1/C9H17NO3/c1-4-6-7(3)10-8(11)9(12)13-5-2/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=29.2443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.239 g/mol  logS: -1.8699  SlogP: 0.8543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541728  Sterimol/B1: 2.49095  Sterimol/B2: 3.01664  Sterimol/B3: 3.11352
  Sterimol/B4: 6.42333  Sterimol/L: 14.3633 
 
 Surface and Volume Properties
  Accessible surface: 440.005  Positive charged surface: 308.818  Negative charged surface: 131.187  Volume: 195.625
  Hydrophobic surface: 284.197  Hydrophilic surface: 155.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.