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PUBCHEM-ZINC05914905

 MMsINC code: MMs03442296
Type: Neutral
Formula: C18H30N2O2
SMILES:   O=C(NC1CC(CC(C1)(C)C)(CNC(=O)C1CC1)C)C1CC1
InChI:   InChI=1/C18H30N2O2/c1-17(2)8-14(20-16(22)13-6-7-13)9-18(3,10-17)11-19-15(21)12-4-5-12/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,22)/t14-,18+/m0/s1

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Potential Energy
Epot(MMFF94)=69.5276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.45 g/mol  logS: -2.81786  SlogP: 2.6238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102307  Sterimol/B1: 2.14034  Sterimol/B2: 3.28946  Sterimol/B3: 4.36579
  Sterimol/B4: 9.32627  Sterimol/L: 15.6545 
 
 Surface and Volume Properties
  Accessible surface: 584.298  Positive charged surface: 403.025  Negative charged surface: 181.273  Volume: 327.25
  Hydrophobic surface: 402.728  Hydrophilic surface: 181.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.