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CHEMBLOCK-ZINC04402236

 MMsINC code: MMs00550347
Type: Neutral
Formula: C27H35NO3
SMILES:   O(C(=O)c1ccc(NC(=O)c2cc(ccc2)C)cc1)C1CCCCCCCCCCC1
InChI:   InChI=1/C27H35NO3/c1-21-12-11-13-23(20-21)26(29)28-24-18-16-22(17-19-24)27(30)31-25-14-9-7-5-3-2-4-6-8-10-15-25/h11-13,16-20,25H,2-10,14-15H2,1H3,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.581 g/mol  logS: -8.77298  SlogP: 7.07742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973036  Sterimol/B1: 3.93077  Sterimol/B2: 4.30026  Sterimol/B3: 5.92862
  Sterimol/B4: 5.94358  Sterimol/L: 19.017 
 
 Surface and Volume Properties
  Accessible surface: 718.115  Positive charged surface: 460.522  Negative charged surface: 257.593  Volume: 439
  Hydrophobic surface: 654.579  Hydrophilic surface: 63.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.