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PUBCHEM-ZINC06050269

 MMsINC code: MMs03514882
Type: Neutral
Formula: C24H44N4O2
SMILES:   O=C(NC1CC(CC(C1)(C)C)(CNC(=O)NC1CCCCC1)C)NC1CCCCC1
InChI:   InChI=1/C24H44N4O2/c1-23(2)14-20(28-22(30)27-19-12-8-5-9-13-19)15-24(3,16-23)17-25-21(29)26-18-10-6-4-7-11-18/h18-20H,4-17H2,1-3H3,(H2,25,26,29)(H2,27,28,30)/t20-,24+/m1/s1

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Potential Energy
Epot(MMFF94)=10.868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.642 g/mol  logS: -4.82486  SlogP: 4.8352  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0455512  Sterimol/B1: 2.79444  Sterimol/B2: 3.97488  Sterimol/B3: 4.89278
  Sterimol/B4: 8.85764  Sterimol/L: 21.5605 
 
 Surface and Volume Properties
  Accessible surface: 757.798  Positive charged surface: 595.82  Negative charged surface: 161.978  Volume: 443.25
  Hydrophobic surface: 624.845  Hydrophilic surface: 132.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.