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CHEMBRIDGE-ZINC00294579

 MMsINC code: MMs00602781
Type: Neutral
Formula: C9H15NO3
SMILES:   OC(=O)CCC(=O)N1CCCCC1
InChI:   InChI=1/C9H15NO3/c11-8(4-5-9(12)13)10-6-2-1-3-7-10/h1-7H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=-0.471598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.223 g/mol  logS: -0.17095  SlogP: 0.8637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685993  Sterimol/B1: 2.84887  Sterimol/B2: 3.34953  Sterimol/B3: 3.41519
  Sterimol/B4: 4.40755  Sterimol/L: 12.9533 
 
 Surface and Volume Properties
  Accessible surface: 391.792  Positive charged surface: 289.23  Negative charged surface: 102.563  Volume: 181.125
  Hydrophobic surface: 260.689  Hydrophilic surface: 131.103
 
 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


MMs00602782
CHEMBRIDGE-ZINC00294579