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CHEMBRIDGE-ZINC00129260

 MMsINC code: MMs00590055
Type: Neutral
Formula: C19H24N2O3
SMILES:   O(C)c1cc(ccc1OC)C(=O)Nc1ccc(N(CC)CC)cc1
InChI:   InChI=1/C19H24N2O3/c1-5-21(6-2)16-10-8-15(9-11-16)20-19(22)14-7-12-17(23-3)18(13-14)24-4/h7-13H,5-6H2,1-4H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.412 g/mol  logS: -4.03746  SlogP: 3.8023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192692  Sterimol/B1: 2.64077  Sterimol/B2: 3.09394  Sterimol/B3: 3.30307
  Sterimol/B4: 6.56576  Sterimol/L: 18.3639 
 
 Surface and Volume Properties
  Accessible surface: 619.577  Positive charged surface: 451.076  Negative charged surface: 168.501  Volume: 333.75
  Hydrophobic surface: 503.908  Hydrophilic surface: 115.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.