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PUBCHEM-ZINC04345563

 MMsINC code: MMs03115228
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-/m1/s1

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Potential Energy
Epot(MMFF94)=232.301 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: 0.133784  Sterimol/B1: 2.28257  Sterimol/B2: 3.01302  Sterimol/B3: 5.17293
  Sterimol/B4: 9.89259  Sterimol/L: 15.9101 
 
 Surface and Volume Properties
  Accessible surface: 681.285  Positive charged surface: 494.344  Negative charged surface: 186.942  Volume: 427.875
  Hydrophobic surface: 535.106  Hydrophilic surface: 146.179
 
 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.