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CHEMBRIDGE-ZINC02745523

 MMsINC code: MMs00714826
Type: Neutral
Formula: C13H26N2O2
SMILES:   O=C(NCCCNC(=O)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C13H26N2O2/c1-12(2,3)10(16)14-8-7-9-15-11(17)13(4,5)6/h7-9H2,1-6H3,(H,14,16)(H,15,17)

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Potential Energy
Epot(MMFF94)=23.9958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -1.36279  SlogP: 1.7011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527355  Sterimol/B1: 2.9397  Sterimol/B2: 3.62384  Sterimol/B3: 3.62487
  Sterimol/B4: 3.88197  Sterimol/L: 17.0476 
 
 Surface and Volume Properties
  Accessible surface: 536.056  Positive charged surface: 381.225  Negative charged surface: 154.831  Volume: 265
  Hydrophobic surface: 368.866  Hydrophilic surface: 167.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.