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PUBCHEM-ZINC04345564

 MMsINC code: MMs03115229
Type: Neutral
Formula: C24H33N3O4
SMILES:   O(C)c1cc(OC)ccc1C(=O)N(C(CC)C)CC(=O)N(Cc1n(ccc1)C)C1CC1
InChI:   InChI=1/C24H33N3O4/c1-6-17(2)26(24(29)21-12-11-20(30-4)14-22(21)31-5)16-23(28)27(18-9-10-18)15-19-8-7-13-25(19)3/h7-8,11-14,17-18H,6,9-10,15-16H2,1-5H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=154.846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.545 g/mol  logS: -3.25898  SlogP: 4.0998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185721  Sterimol/B1: 2.54077  Sterimol/B2: 4.71978  Sterimol/B3: 6.12521
  Sterimol/B4: 9.34437  Sterimol/L: 17.5229 
 
 Surface and Volume Properties
  Accessible surface: 702.288  Positive charged surface: 513.679  Negative charged surface: 188.608  Volume: 430.25
  Hydrophobic surface: 566.62  Hydrophilic surface: 135.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.