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FDA-ZINC00537935

 MMsINC code: MMs01725163
Type: Neutral
Formula: C22H27ClN2O
SMILES:   Clc1ccc(N(C(=O)Cc2ccccc2)C2CCN(CC2)C(C)C)cc1
InChI:   InChI=1/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.8817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.924 g/mol  logS: -5.14933  SlogP: 4.78847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155013  Sterimol/B1: 2.39895  Sterimol/B2: 5.07281  Sterimol/B3: 5.74824
  Sterimol/B4: 9.14155  Sterimol/L: 13.9389 
 
 Surface and Volume Properties
  Accessible surface: 650.088  Positive charged surface: 389.616  Negative charged surface: 260.472  Volume: 373.25
  Hydrophobic surface: 600.61  Hydrophilic surface: 49.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01725164
FDA-ZINC00537935