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CHEMDIV-ZINC06921440

 MMsINC code: MMs01063571
Type: Neutral
Formula: C22H23FN2O2
SMILES:   Fc1ccc(cc1)CN1C(c2c(cccc2)C1=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C22H23FN2O2/c23-16-12-10-15(11-13-16)14-25-20(18-8-4-5-9-19(18)22(25)27)21(26)24-17-6-2-1-3-7-17/h4-5,8-13,17,20H,1-3,6-7,14H2,(H,24,26)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.4842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.436 g/mol  logS: -5.25401  SlogP: 4.3336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107426  Sterimol/B1: 2.1647  Sterimol/B2: 3.27101  Sterimol/B3: 5.2838
  Sterimol/B4: 8.72595  Sterimol/L: 16.5395 
 
 Surface and Volume Properties
  Accessible surface: 626.308  Positive charged surface: 382.798  Negative charged surface: 243.51  Volume: 353.25
  Hydrophobic surface: 566.168  Hydrophilic surface: 60.14
 
 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.