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CHEMBLOCK-ZINC04779435

 MMsINC code: MMs00579305
Type: Neutral
Formula: C25H29NO2
SMILES:   O(C)c1ccc(cc1C(=O)NCc1ccccc1)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C25H29NO2/c1-28-23-8-7-21(25-13-18-9-19(14-25)11-20(10-18)15-25)12-22(23)24(27)26-16-17-5-3-2-4-6-17/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,26,27)/t18-,19+,20-,25-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.512 g/mol  logS: -8.15407  SlogP: 5.3594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103585  Sterimol/B1: 2.31519  Sterimol/B2: 3.62854  Sterimol/B3: 3.62956
  Sterimol/B4: 11.6127  Sterimol/L: 14.68 
 
 Surface and Volume Properties
  Accessible surface: 655.957  Positive charged surface: 480.171  Negative charged surface: 175.786  Volume: 382.125
  Hydrophobic surface: 611.527  Hydrophilic surface: 44.43
 
 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.