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ASINEX-ZINC04848128

 MMsINC code: MMs00378503
Type: Neutral
Formula: C24H22N4O3
SMILES:   O(C)c1cc(NC(=O)N(Cc2ccccc2)CC=2NC(=O)c3c(N=2)cccc3)ccc1
InChI:   InChI=1/C24H22N4O3/c1-31-19-11-7-10-18(14-19)25-24(30)28(15-17-8-3-2-4-9-17)16-22-26-21-13-6-5-12-20(21)23(29)27-22/h2-14H,15-16H2,1H3,(H,25,30)(H,26,27,29)

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Potential Energy
Epot(MMFF94)=85.6018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.465 g/mol  logS: -5.74139  SlogP: 4.4693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123282  Sterimol/B1: 2.33909  Sterimol/B2: 3.33503  Sterimol/B3: 5.13327
  Sterimol/B4: 11.572  Sterimol/L: 16.4462 
 
 Surface and Volume Properties
  Accessible surface: 694.711  Positive charged surface: 426.722  Negative charged surface: 267.988  Volume: 396.125
  Hydrophobic surface: 582.674  Hydrophilic surface: 112.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.