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ENAMINE-ZINC02624417

 MMsINC code: MMs01257659
Type: Neutral
Formula: C19H22Cl2N2O2
SMILES:   Clc1cccc(Cl)c1OCC(O)CN1CCN(CC1)c1ccccc1
InChI:   InChI=1/C19H22Cl2N2O2/c20-17-7-4-8-18(21)19(17)25-14-16(24)13-22-9-11-23(12-10-22)15-5-2-1-3-6-15/h1-8,16,24H,9-14H2/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=169.01 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.303 g/mol  logS: -4.46978  SlogP: 3.5553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332704  Sterimol/B1: 3.18577  Sterimol/B2: 4.3411  Sterimol/B3: 4.43075
  Sterimol/B4: 4.51968  Sterimol/L: 20.4303 
 
 Surface and Volume Properties
  Accessible surface: 634.323  Positive charged surface: 360.251  Negative charged surface: 274.072  Volume: 352
  Hydrophobic surface: 580.682  Hydrophilic surface: 53.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01257660
ENAMINE-ZINC02624417