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CHEMDIV-ZINC06802884

MMsINC code: MMs01029990

Type: Neutral
Formula: C24H24N4O3
SMILES:   O1Cc2c(n(nc2)CC(=O)N2CCN(CC2)c2ccc(cc2)C(=O)C)-c2c1cccc2
InChI:   InChI=1/C24H24N4O3/c1-17(29)18-6-8-20(9-7-18)26-10-12-27(13-11-26)23(30)15-28-24-19(14-25-28)16-31-22-5-3-2-4-21(22)24/h2-9,14H,10-13,15-16H2,1H3

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Potential Energy
Epot(MMFF94)=185.438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.481 g/mol  logS: -4.53233  SlogP: 3.5267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437587  Sterimol/B1: 3.40781  Sterimol/B2: 3.85281  Sterimol/B3: 4.76808
  Sterimol/B4: 6.16294  Sterimol/L: 20.8749 
 
 Surface and Volume Properties
  Accessible surface: 684.776  Positive charged surface: 457.804  Negative charged surface: 226.972  Volume: 395.875
  Hydrophobic surface: 562.629  Hydrophilic surface: 122.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.