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CHEMDIV-ZINC02941091

 MMsINC code: MMs00895502
Type: Neutral
Formula: C20H26ClFN2O2
SMILES:   Clc1cc(F)ccc1CNC(=O)C1CC(=O)N(C1)C1CCCCCCC1
InChI:   InChI=1/C20H26ClFN2O2/c21-18-11-16(22)9-8-14(18)12-23-20(26)15-10-19(25)24(13-15)17-6-4-2-1-3-5-7-17/h8-9,11,15,17H,1-7,10,12-13H2,(H,23,26)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.891 g/mol  logS: -4.91568  SlogP: 4.3231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676301  Sterimol/B1: 2.89263  Sterimol/B2: 3.17793  Sterimol/B3: 5.22935
  Sterimol/B4: 5.59648  Sterimol/L: 18.6959 
 
 Surface and Volume Properties
  Accessible surface: 621.77  Positive charged surface: 378.226  Negative charged surface: 243.544  Volume: 356.625
  Hydrophobic surface: 561.647  Hydrophilic surface: 60.123
 
 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.