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ACROSORGANICS-ZINC01733833

 MMsINC code: MMs00011742
Type: Neutral
Formula: C6H11NO2
SMILES:   OC(=O)C1NC(CC1)C
InChI:   InChI=1/C6H11NO2/c1-4-2-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=17.4787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.23291  SlogP: 0.2115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132088  Sterimol/B1: 2.60523  Sterimol/B2: 2.96806  Sterimol/B3: 3.06078
  Sterimol/B4: 4.29719  Sterimol/L: 10.3352 
 
 Surface and Volume Properties
  Accessible surface: 311.745  Positive charged surface: 220.993  Negative charged surface: 90.7521  Volume: 127.25
  Hydrophobic surface: 177.547  Hydrophilic surface: 134.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.