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CHEMBRIDGE-ZINC02902520

 MMsINC code: MMs00739454
Type: Neutral
Formula: C28H37NO3
SMILES:   O(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1C(CC)(C)C)C(CC)(C)C
InChI:   InChI=1/C28H37NO3/c1-7-27(3,4)20-15-16-24(23(19-20)28(5,6)8-2)32-18-12-11-17-29-25(30)21-13-9-10-14-22(21)26(29)31/h9-10,13-16,19H,7-8,11-12,17-18H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.608 g/mol  logS: -8.93914  SlogP: 6.517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457312  Sterimol/B1: 2.55372  Sterimol/B2: 3.84977  Sterimol/B3: 4.20678
  Sterimol/B4: 10.6992  Sterimol/L: 20.3739 
 
 Surface and Volume Properties
  Accessible surface: 769.166  Positive charged surface: 493.913  Negative charged surface: 275.254  Volume: 457.75
  Hydrophobic surface: 587.766  Hydrophilic surface: 181.4
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.