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ENAMINE-ZINC06085214

 MMsINC code: MMs01654512
Type: Neutral
Formula: C13H25N3O2
SMILES:   O=C(NC(=O)N)C(NC1CCCCC1C)C(C)C
InChI:   InChI=1/C13H25N3O2/c1-8(2)11(12(17)16-13(14)18)15-10-7-5-4-6-9(10)3/h8-11,15H,4-7H2,1-3H3,(H3,14,16,17,18)/t9-,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=27.0894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.362 g/mol  logS: -2.26823  SlogP: 1.3742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211308  Sterimol/B1: 2.21818  Sterimol/B2: 3.06235  Sterimol/B3: 5.62747
  Sterimol/B4: 7.04266  Sterimol/L: 13.1119 
 
 Surface and Volume Properties
  Accessible surface: 487.393  Positive charged surface: 362.161  Negative charged surface: 125.232  Volume: 262.875
  Hydrophobic surface: 297.024  Hydrophilic surface: 190.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs01654513
ENAMINE-ZINC06085214