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CHEMDIV-ZINC05004788

 MMsINC code: MMs00977726
Type: Neutral
Formula: C24H24N4O3
SMILES:   O1c2c(-c3n(ncc3C1=O)CC(=O)NC1CCN(CC1)Cc1ccccc1)cccc2
InChI:   InChI=1/C24H24N4O3/c29-22(26-18-10-12-27(13-11-18)15-17-6-2-1-3-7-17)16-28-23-19-8-4-5-9-21(19)31-24(30)20(23)14-25-28/h1-9,14,18H,10-13,15-16H2,(H,26,29)

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Potential Energy
Epot(MMFF94)=102.545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.481 g/mol  logS: -5.38115  SlogP: 3.3963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522831  Sterimol/B1: 3.57442  Sterimol/B2: 4.18779  Sterimol/B3: 4.31452
  Sterimol/B4: 6.70769  Sterimol/L: 19.1632 
 
 Surface and Volume Properties
  Accessible surface: 689.703  Positive charged surface: 449.127  Negative charged surface: 240.576  Volume: 398.375
  Hydrophobic surface: 565.824  Hydrophilic surface: 123.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00977727
CHEMDIV-ZINC05004788