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NCID-ZINC01855844

 MMsINC code: MMs02371977
Type: Neutral
Formula: C26H34N8O2
SMILES:   Oc1cc(ccc1-c1nnc(n1N)CCCCCCCCc1nnc(n1N)-c1ccc(cc1O)C)C
InChI:   InChI=1/C26H34N8O2/c1-17-11-13-19(21(35)15-17)25-31-29-23(33(25)27)9-7-5-3-4-6-8-10-24-30-32-26(34(24)28)20-14-12-18(2)16-22(20)36/h11-16,35-36H,3-10,27-28H2,1-2H3

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Potential Energy
Epot(MMFF94)=99.5424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.612 g/mol  logS: -8.12946  SlogP: 3.78498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207649  Sterimol/B1: 2.57241  Sterimol/B2: 2.68705  Sterimol/B3: 5.40888
  Sterimol/B4: 6.64668  Sterimol/L: 28.6964 
 
 Surface and Volume Properties
  Accessible surface: 878.447  Positive charged surface: 592.615  Negative charged surface: 285.831  Volume: 481.25
  Hydrophobic surface: 633.56  Hydrophilic surface: 244.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.