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CHEMDIV-ZINC04885148

MMsINC code: MMs00961127

Type: Neutral
Formula: C24H23FN4O2
SMILES:   Fc1ccc(N2CCN(CC2)C(=O)c2n(c-3c(c2)C(=O)N(c2c-3cccc2)C)C)cc1
InChI:   InChI=1/C24H23FN4O2/c1-26-21(15-19-22(26)18-5-3-4-6-20(18)27(2)23(19)30)24(31)29-13-11-28(12-14-29)17-9-7-16(25)8-10-17/h3-10,15H,11-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=203.163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.472 g/mol  logS: -4.69442  SlogP: 3.7428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684415  Sterimol/B1: 2.34999  Sterimol/B2: 3.72551  Sterimol/B3: 4.4107
  Sterimol/B4: 8.07426  Sterimol/L: 18.9937 
 
 Surface and Volume Properties
  Accessible surface: 655.753  Positive charged surface: 420.857  Negative charged surface: 234.896  Volume: 387.125
  Hydrophobic surface: 566.039  Hydrophilic surface: 89.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.