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PUBCHEM-ZINC02043527

 MMsINC code: MMs02864082
Type: Neutral
Formula: C13H24N2O2
SMILES:   O=C1N(C(CCCN(CC)CC)C)C(=O)CC1
InChI:   InChI=1/C13H24N2O2/c1-4-14(5-2)10-6-7-11(3)15-12(16)8-9-13(15)17/h11H,4-10H2,1-3H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=7.88769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -1.24017  SlogP: 1.6459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220051  Sterimol/B1: 2.18479  Sterimol/B2: 3.69924  Sterimol/B3: 5.60959
  Sterimol/B4: 6.58876  Sterimol/L: 12.0781 
 
 Surface and Volume Properties
  Accessible surface: 503.966  Positive charged surface: 358.465  Negative charged surface: 145.501  Volume: 256.75
  Hydrophobic surface: 373.9  Hydrophilic surface: 130.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02864083
PUBCHEM-ZINC02043527