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PUBCHEM-ZINC06904562

 MMsINC code: MMs03895315
Type: Neutral
Formula: C10H17NO2
SMILES:   OC(=O)C1NC2C(CC1)CCCC2
InChI:   InChI=1/C10H17NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h7-9,11H,1-6H2,(H,12,13)/t7-,8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=36.3977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.251 g/mol  logS: -1.2514  SlogP: 1.3818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185569  Sterimol/B1: 2.3536  Sterimol/B2: 3.81384  Sterimol/B3: 3.93321
  Sterimol/B4: 4.10364  Sterimol/L: 11.6157 
 
 Surface and Volume Properties
  Accessible surface: 369.534  Positive charged surface: 274.714  Negative charged surface: 94.8207  Volume: 183
  Hydrophobic surface: 253.993  Hydrophilic surface: 115.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.