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CHEMDIV-ZINC00427051

 MMsINC code: MMs00851992
Type: Neutral
Formula: C18H32N2O2
SMILES:   O=C1N(CCC(C)C)C(CC1)(C(=O)NC1CCCCCC1)C
InChI:   InChI=1/C18H32N2O2/c1-14(2)11-13-20-16(21)10-12-18(20,3)17(22)19-15-8-6-4-5-7-9-15/h14-15H,4-13H2,1-3H3,(H,19,22)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=59.6343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.466 g/mol  logS: -3.93521  SlogP: 3.2526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115144  Sterimol/B1: 2.40483  Sterimol/B2: 3.85232  Sterimol/B3: 4.53053
  Sterimol/B4: 7.50325  Sterimol/L: 15.4866 
 
 Surface and Volume Properties
  Accessible surface: 577.185  Positive charged surface: 412.948  Negative charged surface: 164.236  Volume: 330.375
  Hydrophobic surface: 469.661  Hydrophilic surface: 107.524
 
 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.