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ANALYTICONDISCOVERY-ZINC08295541

 MMsINC code: MMs00039137
Type: Neutral
Formula: C24H38N4O4
SMILES:   O=C1NCCCC1NC(=O)C1N(CCN(C1)C(=O)C1CCCCC1)C(=O)C1CCCCC1
InChI:   InChI=1/C24H38N4O4/c29-21-19(12-7-13-25-21)26-22(30)20-16-27(23(31)17-8-3-1-4-9-17)14-15-28(20)24(32)18-10-5-2-6-11-18/h17-20H,1-16H2,(H,25,29)(H,26,30)/t19-,20-/m0/s1

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Potential Energy
Epot(MMFF94)=125.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.592 g/mol  logS: -4.4791  SlogP: 1.5812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744355  Sterimol/B1: 3.02187  Sterimol/B2: 4.46575  Sterimol/B3: 5.11782
  Sterimol/B4: 9.47682  Sterimol/L: 18.0827 
 
 Surface and Volume Properties
  Accessible surface: 734.26  Positive charged surface: 582.44  Negative charged surface: 151.82  Volume: 437.875
  Hydrophobic surface: 614.969  Hydrophilic surface: 119.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.