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PUBCHEM-ZINC05643831

 MMsINC code: MMs03333021
Type: Neutral
Formula: C14H24N4O3
SMILES:   O=C1NC(=O)N(CC(C)C)C(NC(=O)CN(CC)CC)=C1
InChI:   InChI=1/C14H24N4O3/c1-5-17(6-2)9-13(20)15-11-7-12(19)16-14(21)18(11)8-10(3)4/h7,10H,5-6,8-9H2,1-4H3,(H,15,20)(H,16,19,21)

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Potential Energy
Epot(MMFF94)=37.7241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -2.11745  SlogP: 0.4936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155458  Sterimol/B1: 2.16847  Sterimol/B2: 5.68146  Sterimol/B3: 5.70024
  Sterimol/B4: 6.53538  Sterimol/L: 13.2573 
 
 Surface and Volume Properties
  Accessible surface: 542.492  Positive charged surface: 368.077  Negative charged surface: 174.415  Volume: 293.375
  Hydrophobic surface: 315.104  Hydrophilic surface: 227.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03333022
PUBCHEM-ZINC05643831