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ENAMINE-ZINC03488199

 MMsINC code: MMs01469582
Type: Neutral
Formula: C25H29NO4
SMILES:   O(C(=O)c1ccccc1C(=O)c1ccc(cc1)C)C(C(=O)N(C)C1CCCCC1)C
InChI:   InChI=1/C25H29NO4/c1-17-13-15-19(16-14-17)23(27)21-11-7-8-12-22(21)25(29)30-18(2)24(28)26(3)20-9-5-4-6-10-20/h7-8,11-16,18,20H,4-6,9-10H2,1-3H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.51 g/mol  logS: -6.17827  SlogP: 4.56242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695655  Sterimol/B1: 2.28681  Sterimol/B2: 2.72516  Sterimol/B3: 5.33868
  Sterimol/B4: 10.6639  Sterimol/L: 17.8679 
 
 Surface and Volume Properties
  Accessible surface: 694.521  Positive charged surface: 449.265  Negative charged surface: 245.256  Volume: 411.25
  Hydrophobic surface: 604.083  Hydrophilic surface: 90.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.