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PUBCHEM-ZINC06757268

 MMsINC code: MMs03852940
Type: Neutral
Formula: C14H22N4O5
SMILES:   O=C1NC(=O)NC=C1C(=O)NC(C(=O)N(CCC)CCC)CO
InChI:   InChI=1/C14H22N4O5/c1-3-5-18(6-4-2)13(22)10(8-19)16-11(20)9-7-15-14(23)17-12(9)21/h7,10,19H,3-6,8H2,1-2H3,(H,16,20)(H2,15,17,21,23)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=18.0826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.353 g/mol  logS: -1.51721  SlogP: -1.1646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0909027  Sterimol/B1: 2.18504  Sterimol/B2: 2.64113  Sterimol/B3: 5.35736
  Sterimol/B4: 8.43076  Sterimol/L: 16.4195 
 
 Surface and Volume Properties
  Accessible surface: 576.438  Positive charged surface: 386.419  Negative charged surface: 190.019  Volume: 302.125
  Hydrophobic surface: 287.822  Hydrophilic surface: 288.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.