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ACROSORGANICS-ZINC04262056

 MMsINC code: MMs00017176
Type: Neutral
Formula: C10H17NO2
SMILES:   O(C(=O)C1C2CC(CC2)C1N)CC
InChI:   InChI=1/C10H17NO2/c1-2-13-10(12)8-6-3-4-7(5-6)9(8)11/h6-9H,2-5,11H2,1H3/t6-,7+,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=36.6482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.251 g/mol  logS: -1.14286  SlogP: 0.9229  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125666  Sterimol/B1: 3.47168  Sterimol/B2: 3.55208  Sterimol/B3: 3.76004
  Sterimol/B4: 4.19197  Sterimol/L: 12.5259 
 
 Surface and Volume Properties
  Accessible surface: 397.98  Positive charged surface: 309.665  Negative charged surface: 88.3157  Volume: 190.125
  Hydrophobic surface: 297.088  Hydrophilic surface: 100.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00017177
ACROSORGANICS-ZINC04262056