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ACROSORGANICS-ZINC01660257

 MMsINC code: MMs00010340
Type: Neutral
Formula: C10H15NO3
SMILES:   O=C1CC2N(C(C1)CC2)C(OCC)=O
InChI:   InChI=1/C10H15NO3/c1-2-14-10(13)11-7-3-4-8(11)6-9(12)5-7/h7-8H,2-6H2,1H3/t7-,8+

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Potential Energy
Epot(MMFF94)=13.5362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.234 g/mol  logS: -0.85756  SlogP: 1.3388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177448  Sterimol/B1: 3.38782  Sterimol/B2: 3.47314  Sterimol/B3: 3.88213
  Sterimol/B4: 4.36985  Sterimol/L: 12.1236 
 
 Surface and Volume Properties
  Accessible surface: 396.973  Positive charged surface: 277.181  Negative charged surface: 119.793  Volume: 191.375
  Hydrophobic surface: 301.056  Hydrophilic surface: 95.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.