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CHEMDIV-ZINC00219761

 MMsINC code: MMs00843046
Type: Neutral
Formula: C18H30N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CCCC1)C1CCCCCCC1
InChI:   InChI=1/C18H30N2O2/c21-17-12-14(18(22)19-15-8-6-7-9-15)13-20(17)16-10-4-2-1-3-5-11-16/h14-16H,1-13H2,(H,19,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=82.4129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.45 g/mol  logS: -3.07443  SlogP: 3.0066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643829  Sterimol/B1: 2.29495  Sterimol/B2: 3.88585  Sterimol/B3: 4.18227
  Sterimol/B4: 5.52675  Sterimol/L: 16.9971 
 
 Surface and Volume Properties
  Accessible surface: 570.6  Positive charged surface: 430.725  Negative charged surface: 139.874  Volume: 319.125
  Hydrophobic surface: 505.755  Hydrophilic surface: 64.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.