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ASINEX-ZINC01360005

 MMsINC code: MMs00245947
Type: Neutral
Formula: C23H26N4O3
SMILES:   O(C)c1cc(NC(=O)N(CC=2NC(=O)c3c(N=2)cccc3)C2CCCCC2)ccc1
InChI:   InChI=1/C23H26N4O3/c1-30-18-11-7-8-16(14-18)24-23(29)27(17-9-3-2-4-10-17)15-21-25-20-13-6-5-12-19(20)22(28)26-21/h5-8,11-14,17H,2-4,9-10,15H2,1H3,(H,24,29)(H,25,26,28)

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Potential Energy
Epot(MMFF94)=82.978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.486 g/mol  logS: -5.44463  SlogP: 4.3354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207209  Sterimol/B1: 4.5696  Sterimol/B2: 5.00316  Sterimol/B3: 6.31802
  Sterimol/B4: 7.54899  Sterimol/L: 15.2643 
 
 Surface and Volume Properties
  Accessible surface: 676.907  Positive charged surface: 466.648  Negative charged surface: 210.259  Volume: 390.375
  Hydrophobic surface: 572.662  Hydrophilic surface: 104.245
 
 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.