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ACROSORGANICS-ZINC02516888

 MMsINC code: MMs00013876
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)=71.8783 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: 0.169686  Sterimol/B1: 3.24167  Sterimol/B2: 3.43268  Sterimol/B3: 3.55495
  Sterimol/B4: 4.44366  Sterimol/L: 11.8978 
 
 Surface and Volume Properties
  Accessible surface: 388.126  Positive charged surface: 311.324  Negative charged surface: 76.802  Volume: 188.125
  Hydrophobic surface: 303.758  Hydrophilic surface: 84.368
 
 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


MMs00013877
ACROSORGANICS-ZINC02516888