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ACROSORGANICS-ZINC00157015

 MMsINC code: MMs00005534
Type: Neutral
Formula: C6H11NO2
SMILES:   OC(=O)C1NCCCC1
InChI:   InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=14.5621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.10747  SlogP: 0.2131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173141  Sterimol/B1: 2.35887  Sterimol/B2: 2.83474  Sterimol/B3: 2.99281
  Sterimol/B4: 4.85056  Sterimol/L: 9.95726 
 
 Surface and Volume Properties
  Accessible surface: 302.75  Positive charged surface: 224.081  Negative charged surface: 78.669  Volume: 127.625
  Hydrophobic surface: 186.521  Hydrophilic surface: 116.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.