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NCID-ZINC05202962

 MMsINC code: MMs02448537
Type: Neutral
Formula: C18H27Cl2NO
SMILES:   Clc1cc(Cl)cc(CN(C)C2CC(CCC2C(C)C)C)c1O
InChI:   InChI=1/C18H27Cl2NO/c1-11(2)15-6-5-12(3)7-17(15)21(4)10-13-8-14(19)9-16(20)18(13)22/h8-9,11-12,15,17,22H,5-7,10H2,1-4H3/t12-,15+,17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.7933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.326 g/mol  logS: -5.58153  SlogP: 5.858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157514  Sterimol/B1: 2.31288  Sterimol/B2: 2.88438  Sterimol/B3: 4.85176
  Sterimol/B4: 8.76198  Sterimol/L: 13.9374 
 
 Surface and Volume Properties
  Accessible surface: 569.834  Positive charged surface: 329.407  Negative charged surface: 240.427  Volume: 337.375
  Hydrophobic surface: 479.603  Hydrophilic surface: 90.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02448538
NCID-ZINC05202962