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PUBCHEM-ZINC06495258

 MMsINC code: MMs03767873
Type: Neutral
Formula: C10H19NO
SMILES:   OC1C2NCC(CC2CCC1)C
InChI:   InChI=1/C10H19NO/c1-7-5-8-3-2-4-9(12)10(8)11-6-7/h7-12H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=34.2563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -0.73957  SlogP: 1.1454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191776  Sterimol/B1: 2.82337  Sterimol/B2: 3.52303  Sterimol/B3: 3.98198
  Sterimol/B4: 4.00494  Sterimol/L: 10.6285 
 
 Surface and Volume Properties
  Accessible surface: 362.445  Positive charged surface: 293.098  Negative charged surface: 69.3473  Volume: 183.375
  Hydrophobic surface: 282.221  Hydrophilic surface: 80.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03767874
PUBCHEM-ZINC06495258