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ASINEX-ZINC03877334

 MMsINC code: MMs00291068
Type: Neutral
Formula: C14H22N4O4
SMILES:   O1CCN(CC1)CCCNC=C1C(=O)N(C)C(=O)N(C)C1=O
InChI:   InChI=1/C14H22N4O4/c1-16-12(19)11(13(20)17(2)14(16)21)10-15-4-3-5-18-6-8-22-9-7-18/h10,15H,3-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=28.6717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.354 g/mol  logS: -0.75605  SlogP: -0.7674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215035  Sterimol/B1: 3.01818  Sterimol/B2: 3.17043  Sterimol/B3: 3.17656
  Sterimol/B4: 6.14733  Sterimol/L: 17.8537 
 
 Surface and Volume Properties
  Accessible surface: 565.728  Positive charged surface: 471.039  Negative charged surface: 94.6898  Volume: 294.125
  Hydrophobic surface: 445.133  Hydrophilic surface: 120.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00291069
ASINEX-ZINC03877334