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NCID-ZINC01649579

 MMsINC code: MMs02289539
Type: Neutral
Formula: C18H18ClNO3
SMILES:   Clc1ccc(cc1)C1(O)N(C(CO)(C)C)C(=O)c2c1cccc2
InChI:   InChI=1/C18H18ClNO3/c1-17(2,11-21)20-16(22)14-5-3-4-6-15(14)18(20,23)12-7-9-13(19)10-8-12/h3-10,21,23H,11H2,1-2H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=87.7282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.799 g/mol  logS: -4.35491  SlogP: 3.0716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280112  Sterimol/B1: 2.24269  Sterimol/B2: 3.18152  Sterimol/B3: 5.03096
  Sterimol/B4: 9.9603  Sterimol/L: 12.5652 
 
 Surface and Volume Properties
  Accessible surface: 517.617  Positive charged surface: 266.944  Negative charged surface: 250.673  Volume: 303.5
  Hydrophobic surface: 393.449  Hydrophilic surface: 124.168
 
 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: no related molecules available.