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CHEMDIV-ZINC00262269

 MMsINC code: MMs00847680
Type: Neutral
Formula: C13H25N3O2
SMILES:   O=C(NC(CC)C)C1CCN(CC1)C(=O)N(C)C
InChI:   InChI=1/C13H25N3O2/c1-5-10(2)14-12(17)11-6-8-16(9-7-11)13(18)15(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=33.6494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.362 g/mol  logS: -0.72997  SlogP: 1.2947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694408  Sterimol/B1: 2.45698  Sterimol/B2: 2.65075  Sterimol/B3: 4.22654
  Sterimol/B4: 6.72837  Sterimol/L: 15.3713 
 
 Surface and Volume Properties
  Accessible surface: 515.733  Positive charged surface: 413.136  Negative charged surface: 102.596  Volume: 268.375
  Hydrophobic surface: 409.633  Hydrophilic surface: 106.1
 
 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.