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NCID-ZINC01665305

 MMsINC code: MMs02301476
Type: Neutral
Formula: C19H20ClNO
SMILES:   Clc1ccc(cc1)C(N1CCCCC1)C(=O)c1ccccc1
InChI:   InChI=1/C19H20ClNO/c20-17-11-9-15(10-12-17)18(21-13-5-2-6-14-21)19(22)16-7-3-1-4-8-16/h1,3-4,7-12,18H,2,5-6,13-14H2/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.6514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.828 g/mol  logS: -4.84402  SlogP: 4.8454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163077  Sterimol/B1: 3.28769  Sterimol/B2: 3.34567  Sterimol/B3: 4.16336
  Sterimol/B4: 9.35795  Sterimol/L: 14.0172 
 
 Surface and Volume Properties
  Accessible surface: 549.101  Positive charged surface: 309.755  Negative charged surface: 239.347  Volume: 308.875
  Hydrophobic surface: 532.851  Hydrophilic surface: 16.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02301477
NCID-ZINC01665305