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MDPI-ZINC03845958

 MMsINC code: MMs02179367
Type: Neutral
Formula: C25H36O
SMILES:   OC(Cc1ccccc1)CC(CCCC(Cc1ccccc1)C(C)C)C
InChI:   InChI=1/C25H36O/c1-20(2)24(18-22-12-6-4-7-13-22)16-10-11-21(3)17-25(26)19-23-14-8-5-9-15-23/h4-9,12-15,20-21,24-26H,10-11,16-19H2,1-3H3/t21-,24+,25+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.562 g/mol  logS: -7.88549  SlogP: 6.30134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466522  Sterimol/B1: 2.41641  Sterimol/B2: 3.9845  Sterimol/B3: 5.25496
  Sterimol/B4: 5.34549  Sterimol/L: 21.5421 
 
 Surface and Volume Properties
  Accessible surface: 693.124  Positive charged surface: 450.343  Negative charged surface: 242.781  Volume: 402.5
  Hydrophobic surface: 612.516  Hydrophilic surface: 80.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.