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PUBCHEM-ZINC06168481

 MMsINC code: MMs03576971
Type: Neutral
Formula: C13H25N3O3
SMILES:   O(C(=O)C(NC(=O)N1CCN(CC1)C)C(CC)C)C
InChI:   InChI=1/C13H25N3O3/c1-5-10(2)11(12(17)19-4)14-13(18)16-8-6-15(3)7-9-16/h10-11H,5-9H2,1-4H3,(H,14,18)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=52.4851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.361 g/mol  logS: -1.19921  SlogP: 0.5311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0788541  Sterimol/B1: 2.28187  Sterimol/B2: 2.7119  Sterimol/B3: 4.18823
  Sterimol/B4: 7.49163  Sterimol/L: 15.177 
 
 Surface and Volume Properties
  Accessible surface: 530.283  Positive charged surface: 439.887  Negative charged surface: 90.3965  Volume: 273.375
  Hydrophobic surface: 431.859  Hydrophilic surface: 98.424
 
 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


MMs03576972
PUBCHEM-ZINC06168481