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ENAMINE-ZINC03422085

 MMsINC code: MMs01432480
Type: Neutral
Formula: C19H20Cl2N2O
SMILES:   Clc1cc(Cl)ccc1CCNC(=O)CN1CCc2c(C1)cccc2
InChI:   InChI=1/C19H20Cl2N2O/c20-17-6-5-15(18(21)11-17)7-9-22-19(24)13-23-10-8-14-3-1-2-4-16(14)12-23/h1-6,11H,7-10,12-13H2,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.3233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.288 g/mol  logS: -4.91072  SlogP: 3.97674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425689  Sterimol/B1: 3.02263  Sterimol/B2: 3.33372  Sterimol/B3: 4.86848
  Sterimol/B4: 6.37274  Sterimol/L: 19.2625 
 
 Surface and Volume Properties
  Accessible surface: 631.255  Positive charged surface: 341.881  Negative charged surface: 289.374  Volume: 337
  Hydrophobic surface: 583.855  Hydrophilic surface: 47.4
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01432481
ENAMINE-ZINC03422085