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PUBCHEM-ZINC05591385

 MMsINC code: MMs03315943
Type: Neutral
Formula: C10H21NO2
SMILES:   O(CC(NC(=O)C(CCC)C)C)C
InChI:   InChI=1/C10H21NO2/c1-5-6-8(2)10(12)11-9(3)7-13-4/h8-9H,5-7H2,1-4H3,(H,11,12)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=20.7004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.6743  SlogP: 1.5737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571529  Sterimol/B1: 2.95838  Sterimol/B2: 3.03505  Sterimol/B3: 3.87843
  Sterimol/B4: 4.05249  Sterimol/L: 14.7824 
 
 Surface and Volume Properties
  Accessible surface: 447.439  Positive charged surface: 358.017  Negative charged surface: 89.4216  Volume: 211.375
  Hydrophobic surface: 355.473  Hydrophilic surface: 91.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.