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CHEMDIV-ZINC04873042

 MMsINC code: MMs00959029
Type: Neutral
Formula: C23H42N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)CCCCC)C(C)C)C(C)C)C
InChI:   InChI=1/C23H42N2O4/c1-7-8-9-10-17-11-13-18(14-12-17)21(26)24-19(15(2)3)22(27)25-20(16(4)5)23(28)29-6/h15-20H,7-14H2,1-6H3,(H,24,26)(H,25,27)/t17-,18+,19-,20-/m1/s1

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Potential Energy
Epot(MMFF94)=95.6315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.599 g/mol  logS: -6.23597  SlogP: 3.8277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458873  Sterimol/B1: 2.43049  Sterimol/B2: 3.41071  Sterimol/B3: 4.15111
  Sterimol/B4: 8.75662  Sterimol/L: 20.4421 
 
 Surface and Volume Properties
  Accessible surface: 740.376  Positive charged surface: 569.129  Negative charged surface: 171.247  Volume: 433.125
  Hydrophobic surface: 581.307  Hydrophilic surface: 159.069
 
 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.