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ENAMINE-ZINC03504739

MMsINC code: MMs01478998

Type: Neutral
Formula: C24H27NO4
SMILES:   O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)N(CC)C1CCCCC1
InChI:   InChI=1/C24H27NO4/c1-2-25(19-13-7-4-8-14-19)22(26)17-29-24(28)21-16-10-9-15-20(21)23(27)18-11-5-3-6-12-18/h3,5-6,9-12,15-16,19H,2,4,7-8,13-14,17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=101.278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.483 g/mol  logS: -5.70435  SlogP: 4.2556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105473  Sterimol/B1: 1.969  Sterimol/B2: 3.11596  Sterimol/B3: 6.98003
  Sterimol/B4: 8.90094  Sterimol/L: 16.1446 
 
 Surface and Volume Properties
  Accessible surface: 687.332  Positive charged surface: 439.805  Negative charged surface: 247.528  Volume: 392.375
  Hydrophobic surface: 599.807  Hydrophilic surface: 87.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.