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NCID-ZINC05662794

 MMsINC code: MMs02483786
Type: Neutral
Formula: C24H30N4O4
SMILES:   O1C=2C(=Nc3c1c(ccc3C(=O)N(CC)CC)C)C(C(=O)N(CC)CC)=C(N)C(=O)C
=2C
InChI:   InChI=1/C24H30N4O4/c1-7-27(8-2)23(30)15-12-11-13(5)21-18(15)26-19-16(24(31)28(9-3)10-4)17(25)20(29)14(6)22(19)32-21/h11-12H,7-10,25H2,1-6H3

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Potential Energy
Epot(MMFF94)=123.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.528 g/mol  logS: -5.27681  SlogP: 2.87982  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.145741  Sterimol/B1: 2.53035  Sterimol/B2: 3.03655  Sterimol/B3: 5.92371
  Sterimol/B4: 10.2755  Sterimol/L: 13.7312 
 
 Surface and Volume Properties
  Accessible surface: 672.521  Positive charged surface: 457.558  Negative charged surface: 214.964  Volume: 426.625
  Hydrophobic surface: 489.86  Hydrophilic surface: 182.661
 
 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.