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NCID-ZINC06010182

 MMsINC code: MMs02516913
Type: Neutral
Formula: C19H24Cl2N2O
SMILES:   Clc1cc(ccc1Cl)CC(=O)N(C)C1CCCCC1N1CC=CC1
InChI:   InChI=1/C19H24Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h4-5,8-9,12,17-18H,2-3,6-7,10-11,13H2,1H3/t17-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.7802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.32 g/mol  logS: -4.46354  SlogP: 4.17727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127293  Sterimol/B1: 2.0031  Sterimol/B2: 4.5443  Sterimol/B3: 6.17066
  Sterimol/B4: 6.72975  Sterimol/L: 15.8379 
 
 Surface and Volume Properties
  Accessible surface: 585.535  Positive charged surface: 334.527  Negative charged surface: 251.008  Volume: 345.5
  Hydrophobic surface: 517.57  Hydrophilic surface: 67.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02516914
NCID-ZINC06010182