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CHEMDIV-ZINC03033970

 MMsINC code: MMs00906008
Type: Neutral
Formula: C24H27FN2O2
SMILES:   Fc1ccccc1C1(N(CCc2ccccc2)C(=O)C1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H27FN2O2/c25-21-14-8-7-13-20(21)24(23(29)26-19-11-5-2-6-12-19)17-22(28)27(24)16-15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,26,29)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.65 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.49 g/mol  logS: -5.22384  SlogP: 4.25637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26361  Sterimol/B1: 3.15696  Sterimol/B2: 3.29922  Sterimol/B3: 6.35856
  Sterimol/B4: 10.2805  Sterimol/L: 13.0528 
 
 Surface and Volume Properties
  Accessible surface: 634.206  Positive charged surface: 362.738  Negative charged surface: 241.101  Volume: 389.625
  Hydrophobic surface: 574.428  Hydrophilic surface: 59.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.