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PUBCHEM-ZINC04548143

 MMsINC code: MMs03132100
Type: Neutral
Formula: C14H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC(C)C)C(=O)NC12CCCC2
InChI:   InChI=1/C14H22N4O4/c1-9(2)7-15-12(21)16-10(19)8-18-11(20)14(17-13(18)22)5-3-4-6-14/h9H,3-8H2,1-2H3,(H,17,22)(H2,15,16,19,21)

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Potential Energy
Epot(MMFF94)=4.31419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.354 g/mol  logS: -2.12226  SlogP: 0.3328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484146  Sterimol/B1: 1.99464  Sterimol/B2: 4.08901  Sterimol/B3: 4.31838
  Sterimol/B4: 5.08807  Sterimol/L: 18.2898 
 
 Surface and Volume Properties
  Accessible surface: 566.309  Positive charged surface: 396.134  Negative charged surface: 170.175  Volume: 289.625
  Hydrophobic surface: 340.978  Hydrophilic surface: 225.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.