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CHEMBRIDGE-ZINC02494979

MMsINC code: MMs00711339

Type: Neutral
Formula: C24H34N2O
SMILES:   o1nc(nc1-c1ccccc1C)C1CCC(CC1)C1CCC(CC1)CCC
InChI:   InChI=1/C24H34N2O/c1-3-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)23-25-24(27-26-23)22-8-5-4-7-17(22)2/h4-5,7-8,18-21H,3,6,9-16H2,1-2H3/t18-,19-,20-,21-

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Potential Energy
Epot(MMFF94)=91.4057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.549 g/mol  logS: -10.2002  SlogP: 6.92532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372921  Sterimol/B1: 2.84393  Sterimol/B2: 4.17698  Sterimol/B3: 4.51513
  Sterimol/B4: 4.62118  Sterimol/L: 23.1123 
 
 Surface and Volume Properties
  Accessible surface: 688.195  Positive charged surface: 493.43  Negative charged surface: 194.765  Volume: 390.875
  Hydrophobic surface: 624.162  Hydrophilic surface: 64.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.