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NCID-ZINC01569468

 MMsINC code: MMs02230106
Type: Neutral
Formula: C13H18N4O4
SMILES:   O(Cc1ccccc1)C(=O)NC(CCC(=O)NN)C(=O)N
InChI:   InChI=1/C13H18N4O4/c14-12(19)10(6-7-11(18)17-15)16-13(20)21-8-9-4-2-1-3-5-9/h1-5,10H,6-8,15H2,(H2,14,19)(H,16,20)(H,17,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=53.8671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.311 g/mol  logS: -2.22857  SlogP: -0.1968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501739  Sterimol/B1: 2.58688  Sterimol/B2: 4.15103  Sterimol/B3: 4.20579
  Sterimol/B4: 7.35189  Sterimol/L: 16.0558 
 
 Surface and Volume Properties
  Accessible surface: 566.125  Positive charged surface: 357.094  Negative charged surface: 209.031  Volume: 271.625
  Hydrophobic surface: 281.463  Hydrophilic surface: 284.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.