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CHEMDIV-ZINC00142818

 MMsINC code: MMs00834605
Type: Neutral
Formula: C14H26N2O2
SMILES:   O1C(CN(CC1C)CC(=O)NC1CCCCC1)C
InChI:   InChI=1/C14H26N2O2/c1-11-8-16(9-12(2)18-11)10-14(17)15-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=66.7265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -2.07804  SlogP: 1.5445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573645  Sterimol/B1: 2.58023  Sterimol/B2: 3.30054  Sterimol/B3: 3.38308
  Sterimol/B4: 5.28657  Sterimol/L: 16.1199 
 
 Surface and Volume Properties
  Accessible surface: 514.013  Positive charged surface: 416.144  Negative charged surface: 97.8698  Volume: 267.875
  Hydrophobic surface: 428.536  Hydrophilic surface: 85.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.