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ASINEX-ZINC02961979

 MMsINC code: MMs00282202
Type: Neutral
Formula: C19H23N3O5
SMILES:   o1nc(NC(=O)COC(=O)C(NC(=O)c2ccccc2)CC(C)C)cc1C
InChI:   InChI=1/C19H23N3O5/c1-12(2)9-15(20-18(24)14-7-5-4-6-8-14)19(25)26-11-17(23)21-16-10-13(3)27-22-16/h4-8,10,12,15H,9,11H2,1-3H3,(H,20,24)(H,21,22,23)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=95.4022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -4.76603  SlogP: 2.30942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035732  Sterimol/B1: 2.68004  Sterimol/B2: 4.57673  Sterimol/B3: 4.69155
  Sterimol/B4: 5.64959  Sterimol/L: 20.8233 
 
 Surface and Volume Properties
  Accessible surface: 672.928  Positive charged surface: 399.077  Negative charged surface: 273.851  Volume: 351.125
  Hydrophobic surface: 492.175  Hydrophilic surface: 180.753
 
 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.