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CHEMDIV-ZINC03007993

 MMsINC code: MMs00901324
Type: Neutral
Formula: C27H26N2O2
SMILES:   O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCCc1ccc(cc1)C
InChI:   InChI=1/C27H26N2O2/c1-3-31-22-14-12-21(13-15-22)26-18-24(23-6-4-5-7-25(23)29-26)27(30)28-17-16-20-10-8-19(2)9-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.517 g/mol  logS: -7.19561  SlogP: 5.58139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226339  Sterimol/B1: 2.49538  Sterimol/B2: 3.61983  Sterimol/B3: 3.64985
  Sterimol/B4: 13.7283  Sterimol/L: 19.9601 
 
 Surface and Volume Properties
  Accessible surface: 757.048  Positive charged surface: 451.483  Negative charged surface: 294.494  Volume: 417
  Hydrophobic surface: 670.662  Hydrophilic surface: 86.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.