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CHEMDIV-ZINC06808993

MMsINC code: MMs01036500

Type: Neutral
Formula: C24H24N4O2
SMILES:   O(C)c1ccccc1CNC(=O)CC=1C(=Nc2n(nc(c2)-c2ccccc2)C=1C)C
InChI:   InChI=1/C24H24N4O2/c1-16-20(13-24(29)25-15-19-11-7-8-12-22(19)30-3)17(2)28-23(26-16)14-21(27-28)18-9-5-4-6-10-18/h4-12,14H,13,15H2,1-3H3,(H,25,29)

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Potential Energy
Epot(MMFF94)=107.671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.482 g/mol  logS: -5.4943  SlogP: 4.8686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263346  Sterimol/B1: 2.38187  Sterimol/B2: 3.11178  Sterimol/B3: 3.8611
  Sterimol/B4: 9.13257  Sterimol/L: 21.7085 
 
 Surface and Volume Properties
  Accessible surface: 715.184  Positive charged surface: 439.537  Negative charged surface: 275.647  Volume: 394.75
  Hydrophobic surface: 642.251  Hydrophilic surface: 72.933
 
 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: no related molecules available.