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CHEMBRIDGE-ZINC04028813

 MMsINC code: MMs00759999
Type: Neutral
Formula: C19H35NO
SMILES:   O=CN(CC(CC=C(C)C)(C)C)CC(CC=C(C)C)(C)C
InChI:   InChI=1/C19H35NO/c1-16(2)9-11-18(5,6)13-20(15-21)14-19(7,8)12-10-17(3)4/h9-10,15H,11-14H2,1-8H3

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Potential Energy
Epot(MMFF94)=89.1125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.495 g/mol  logS: -4.09572  SlogP: 5.2098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808227  Sterimol/B1: 2.31143  Sterimol/B2: 4.31413  Sterimol/B3: 5.07625
  Sterimol/B4: 5.32408  Sterimol/L: 17.6325 
 
 Surface and Volume Properties
  Accessible surface: 583.063  Positive charged surface: 395.266  Negative charged surface: 187.797  Volume: 344
  Hydrophobic surface: 476.086  Hydrophilic surface: 106.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.