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ENAMINE-ZINC05557343

 MMsINC code: MMs01621345
Type: Neutral
Formula: C20H26ClNO2
SMILES:   Clc1ccc(OC(C(=O)NC23CC4CC(C2)CC(C3)C4)(C)C)cc1
InChI:   InChI=1/C20H26ClNO2/c1-19(2,24-17-5-3-16(21)4-6-17)18(23)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H,22,23)/t13-,14+,15-,20-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.886 g/mol  logS: -5.82302  SlogP: 4.5824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147691  Sterimol/B1: 2.3477  Sterimol/B2: 3.50045  Sterimol/B3: 5.51277
  Sterimol/B4: 8.08915  Sterimol/L: 14.0677 
 
 Surface and Volume Properties
  Accessible surface: 565.106  Positive charged surface: 361.489  Negative charged surface: 203.617  Volume: 333.625
  Hydrophobic surface: 514.635  Hydrophilic surface: 50.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.