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ANALYTICONDISCOVERY-ZINC03838515

 MMsINC code: MMs00025958
Type: Neutral
Formula: C20H32N4O3
SMILES:   O=C1N(C2CCCCC2)C(=O)N2C1CC(NC(=O)NC1CCCCC1)CC2
InChI:   InChI=1/C20H32N4O3/c25-18-17-13-15(22-19(26)21-14-7-3-1-4-8-14)11-12-23(17)20(27)24(18)16-9-5-2-6-10-16/h14-17H,1-13H2,(H2,21,22,26)/t15-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=-10.5629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.501 g/mol  logS: -3.43695  SlogP: 2.7462  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0546454  Sterimol/B1: 3.20675  Sterimol/B2: 3.31263  Sterimol/B3: 5.18172
  Sterimol/B4: 5.25166  Sterimol/L: 20.3217 
 
 Surface and Volume Properties
  Accessible surface: 653.419  Positive charged surface: 501.579  Negative charged surface: 151.84  Volume: 369.875
  Hydrophobic surface: 545.963  Hydrophilic surface: 107.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.