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ACROSORGANICS-ZINC04262318

 MMsINC code: MMs00017417
Type: Neutral
Formula: C10H19NO2
SMILES:   OC1C2(CCC(C2(C)C)C1NO)C
InChI:   InChI=1/C10H19NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6-8,11-13H,4-5H2,1-3H3/t6-,7+,8+,10+/m0/s1

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Potential Energy
Epot(MMFF94)=131.28 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.17061  SlogP: 1.1508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.509105  Sterimol/B1: 2.11914  Sterimol/B2: 3.47527  Sterimol/B3: 4.60963
  Sterimol/B4: 5.55355  Sterimol/L: 9.51111 
 
 Surface and Volume Properties
  Accessible surface: 359.232  Positive charged surface: 271.727  Negative charged surface: 87.5051  Volume: 190.125
  Hydrophobic surface: 213.706  Hydrophilic surface: 145.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.