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ENAMINE-ZINC06086183

 MMsINC code: MMs01655066
Type: Neutral
Formula: C19H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1CCNC(C(=O)Nc1ccc(cc1)C(=O)C)C
InChI:   InChI=1/C19H20Cl2N2O2/c1-12(22-10-9-15-3-6-16(20)11-18(15)21)19(25)23-17-7-4-14(5-8-17)13(2)24/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.0795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.287 g/mol  logS: -5.29134  SlogP: 4.35527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472445  Sterimol/B1: 2.26321  Sterimol/B2: 3.29573  Sterimol/B3: 4.69576
  Sterimol/B4: 6.15015  Sterimol/L: 21.3689 
 
 Surface and Volume Properties
  Accessible surface: 652.399  Positive charged surface: 317.293  Negative charged surface: 335.106  Volume: 347.25
  Hydrophobic surface: 542.648  Hydrophilic surface: 109.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01655067
ENAMINE-ZINC06086183