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ENAMINE-ZINC02624418

 MMsINC code: MMs01257661
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-/m1/s1

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Potential Energy
Epot(MMFF94)=169.556 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: 0.0316694  Sterimol/B1: 3.1625  Sterimol/B2: 4.25566  Sterimol/B3: 4.34448
  Sterimol/B4: 4.6436  Sterimol/L: 20.3793 
 
 Surface and Volume Properties
  Accessible surface: 639.362  Positive charged surface: 363.95  Negative charged surface: 275.412  Volume: 352.875
  Hydrophobic surface: 584.688  Hydrophilic surface: 54.674
 
 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


MMs01257662
ENAMINE-ZINC02624418