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PUBCHEM-ZINC06846223

 MMsINC code: MMs03873771
Type: Neutral
Formula: C19H24N4O4
SMILES:   O1CCCC1CN(CC(=O)Nc1nocc1)C(=O)Nc1cc(C)c(cc1)C
InChI:   InChI=1/C19H24N4O4/c1-13-5-6-15(10-14(13)2)20-19(25)23(11-16-4-3-8-26-16)12-18(24)21-17-7-9-27-22-17/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3,(H,20,25)(H,21,22,24)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=86.8751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.425 g/mol  logS: -3.9191  SlogP: 2.94304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121933  Sterimol/B1: 3.28055  Sterimol/B2: 3.28274  Sterimol/B3: 5.07274
  Sterimol/B4: 9.75131  Sterimol/L: 16.5946 
 
 Surface and Volume Properties
  Accessible surface: 652.861  Positive charged surface: 409.413  Negative charged surface: 243.448  Volume: 352.875
  Hydrophobic surface: 542.748  Hydrophilic surface: 110.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.