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CHEMDIV-ZINC04789058

 MMsINC code: MMs00955215
Type: Neutral
Formula: C24H23ClFN3O2
SMILES:   Clc1cc(F)ccc1CNC(=O)C=1c2c(n(c3c2cccc3)C)C(=O)N(C=1)CC(C)C
InChI:   InChI=1/C24H23ClFN3O2/c1-14(2)12-29-13-18(23(30)27-11-15-8-9-16(26)10-19(15)25)21-17-6-4-5-7-20(17)28(3)22(21)24(29)31/h4-10,13-14H,11-12H2,1-3H3,(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.7358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.918 g/mol  logS: -5.8669  SlogP: 5.3655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604124  Sterimol/B1: 2.01299  Sterimol/B2: 3.57243  Sterimol/B3: 4.38896
  Sterimol/B4: 11.9414  Sterimol/L: 17.1335 
 
 Surface and Volume Properties
  Accessible surface: 676.834  Positive charged surface: 386.619  Negative charged surface: 284.711  Volume: 403
  Hydrophobic surface: 589.237  Hydrophilic surface: 87.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.