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NCID-ZINC01606630

 MMsINC code: MMs02258566
Type: Neutral
Formula: C18H28N4O4
SMILES:   O(Cc1ccccc1)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NN
InChI:   InChI=1/C18H28N4O4/c1-11(2)14(16(23)20-15(12(3)4)17(24)22-19)21-18(25)26-10-13-8-6-5-7-9-13/h5-9,11-12,14-15H,10,19H2,1-4H3,(H,20,23)(H,21,25)(H,22,24)/t14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=96.5954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.446 g/mol  logS: -3.50039  SlogP: 1.3345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618735  Sterimol/B1: 2.29419  Sterimol/B2: 4.51978  Sterimol/B3: 5.51844
  Sterimol/B4: 6.63537  Sterimol/L: 18.1725 
 
 Surface and Volume Properties
  Accessible surface: 655.2  Positive charged surface: 420.323  Negative charged surface: 234.878  Volume: 356.125
  Hydrophobic surface: 389.571  Hydrophilic surface: 265.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.