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CHEMDIV-ZINC04909934

 MMsINC code: MMs00964149
Type: Neutral
Formula: C24H26N4O2
SMILES:   O1Cc2c(n(nc2)CC(=O)N2CC(N(CC2)c2cc(ccc2)C)C)-c2c1cccc2
InChI:   InChI=1/C24H26N4O2/c1-17-6-5-7-20(12-17)27-11-10-26(14-18(27)2)23(29)15-28-24-19(13-25-28)16-30-22-9-4-3-8-21(22)24/h3-9,12-13,18H,10-11,14-16H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=173.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.498 g/mol  logS: -5.02119  SlogP: 4.02102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543174  Sterimol/B1: 3.19706  Sterimol/B2: 4.12736  Sterimol/B3: 5.21241
  Sterimol/B4: 7.05919  Sterimol/L: 18.9571 
 
 Surface and Volume Properties
  Accessible surface: 676.029  Positive charged surface: 465.149  Negative charged surface: 210.88  Volume: 395.75
  Hydrophobic surface: 582.606  Hydrophilic surface: 93.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.