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ENAMINE-ZINC02622026

 MMsINC code: MMs01256007
Type: Neutral
Formula: C19H16Cl2N2O2
SMILES:   Clc1cccc(Cl)c1CN1C(=O)C2(NC1=O)CCCc1c2cccc1
InChI:   InChI=1/C19H16Cl2N2O2/c20-15-8-3-9-16(21)13(15)11-23-17(24)19(22-18(23)25)10-4-6-12-5-1-2-7-14(12)19/h1-3,5,7-9H,4,6,10-11H2,(H,22,25)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.8959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.255 g/mol  logS: -5.93973  SlogP: 4.85487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190728  Sterimol/B1: 2.53123  Sterimol/B2: 3.60244  Sterimol/B3: 5.4386
  Sterimol/B4: 7.56035  Sterimol/L: 12.9647 
 
 Surface and Volume Properties
  Accessible surface: 537.666  Positive charged surface: 282.668  Negative charged surface: 254.998  Volume: 324.375
  Hydrophobic surface: 471.337  Hydrophilic surface: 66.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.