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PUBCHEM-ZINC06757254

 MMsINC code: MMs03852930
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-/m1/s1

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Potential Energy
Epot(MMFF94)=22.6046 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: 0.0857388  Sterimol/B1: 2.28774  Sterimol/B2: 2.85339  Sterimol/B3: 4.69084
  Sterimol/B4: 8.97654  Sterimol/L: 15.4052 
 
 Surface and Volume Properties
  Accessible surface: 574.814  Positive charged surface: 384.808  Negative charged surface: 190.007  Volume: 299.125
  Hydrophobic surface: 284.898  Hydrophilic surface: 289.916
 
 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.