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COMGENEX-ZINC06711856

 MMsINC code: MMs01191582
Type: Neutral
Formula: C23H30FN3O3
SMILES:   Fc1cc(ccc1)C(=O)Nc1cc(CN(C(=O)C(C)C)CCOC)c(N(C)C)cc1
InChI:   InChI=1/C23H30FN3O3/c1-16(2)23(29)27(11-12-30-5)15-18-14-20(9-10-21(18)26(3)4)25-22(28)17-7-6-8-19(24)13-17/h6-10,13-14,16H,11-12,15H2,1-5H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=182.925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.509 g/mol  logS: -4.17094  SlogP: 4.0414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138647  Sterimol/B1: 3.85639  Sterimol/B2: 4.77793  Sterimol/B3: 4.91393
  Sterimol/B4: 5.39763  Sterimol/L: 18.072 
 
 Surface and Volume Properties
  Accessible surface: 643.081  Positive charged surface: 446.069  Negative charged surface: 197.012  Volume: 408
  Hydrophobic surface: 547.776  Hydrophilic surface: 95.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.