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CHEMDIV-ZINC06803904

 MMsINC code: MMs01031070
Type: Neutral
Formula: C23H23FN4O2
SMILES:   Fc1ccccc1N1CCN(CC1)C(=O)Cn1ncc2c1-c1cc(ccc1OC2)C
InChI:   InChI=1/C23H23FN4O2/c1-16-6-7-21-18(12-16)23-17(15-30-21)13-25-28(23)14-22(29)27-10-8-26(9-11-27)20-5-3-2-4-19(20)24/h2-7,12-13H,8-11,14-15H2,1H3

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Potential Energy
Epot(MMFF94)=175.663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.461 g/mol  logS: -4.98896  SlogP: 3.77162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418013  Sterimol/B1: 2.27397  Sterimol/B2: 3.36073  Sterimol/B3: 3.95335
  Sterimol/B4: 9.67748  Sterimol/L: 18.6858 
 
 Surface and Volume Properties
  Accessible surface: 652.947  Positive charged surface: 435.572  Negative charged surface: 217.375  Volume: 381.625
  Hydrophobic surface: 574.64  Hydrophilic surface: 78.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.