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ANALYTICONDISCOVERY-ZINC04277853

 MMsINC code: MMs00035391
Type: Neutral
Formula: C23H38N4O4
SMILES:   O=C(N1CCN(CC1C(=O)NC(CC1CCCCC1)C(=O)N)C(=O)C)C1CCCCC1
InChI:   InChI=1/C23H38N4O4/c1-16(28)26-12-13-27(23(31)18-10-6-3-7-11-18)20(15-26)22(30)25-19(21(24)29)14-17-8-4-2-5-9-17/h17-20H,2-15H2,1H3,(H2,24,29)(H,25,30)/t19-,20-/m0/s1

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Potential Energy
Epot(MMFF94)=119.128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.581 g/mol  logS: -5.18859  SlogP: 1.5665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169086  Sterimol/B1: 3.1231  Sterimol/B2: 3.19851  Sterimol/B3: 5.69426
  Sterimol/B4: 10.4292  Sterimol/L: 15.1589 
 
 Surface and Volume Properties
  Accessible surface: 700.589  Positive charged surface: 529.935  Negative charged surface: 170.655  Volume: 428.125
  Hydrophobic surface: 543.633  Hydrophilic surface: 156.956
 
 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.