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NCID-ZINC01686369

 MMsINC code: MMs02319286
Type: Neutral
Formula: C13H19N5O4
SMILES:   O(Cc1ccccc1)C(=O)NC(CCC(=O)NN)C(=O)NN
InChI:   InChI=1/C13H19N5O4/c14-17-11(19)7-6-10(12(20)18-15)16-13(21)22-8-9-4-2-1-3-5-9/h1-5,10H,6-8,14-15H2,(H,16,21)(H,17,19)(H,18,20)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=85.3872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.326 g/mol  logS: -2.2085  SlogP: -0.6922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513554  Sterimol/B1: 2.50392  Sterimol/B2: 4.25103  Sterimol/B3: 5.22001
  Sterimol/B4: 7.61891  Sterimol/L: 15.8812 
 
 Surface and Volume Properties
  Accessible surface: 590.665  Positive charged surface: 375.664  Negative charged surface: 215.001  Volume: 281
  Hydrophobic surface: 281.463  Hydrophilic surface: 309.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.