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CHEMDIV-ZINC04757090

 MMsINC code: MMs00947041
Type: Neutral
Formula: C25H21ClF2N2O3
SMILES:   Clc1cc(NC(=O)C2CCC(=O)N(C2c2ccc(F)cc2)c2ccc(OC)cc2)ccc1F
InChI:   InChI=1/C25H21ClF2N2O3/c1-33-19-9-7-18(8-10-19)30-23(31)13-11-20(24(30)15-2-4-16(27)5-3-15)25(32)29-17-6-12-22(28)21(26)14-17/h2-10,12,14,20,24H,11,13H2,1H3,(H,29,32)/t20-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.903 g/mol  logS: -6.60895  SlogP: 5.8453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173546  Sterimol/B1: 3.91143  Sterimol/B2: 5.14895  Sterimol/B3: 5.35757
  Sterimol/B4: 6.40054  Sterimol/L: 18.4638 
 
 Surface and Volume Properties
  Accessible surface: 668.41  Positive charged surface: 362.705  Negative charged surface: 305.704  Volume: 407
  Hydrophobic surface: 613.801  Hydrophilic surface: 54.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.