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ASINEX-ZINC00064849

 MMsINC code: MMs00067870
Type: Neutral
Formula: C19H22N2O2
SMILES:   O1CCN(CC1)CCNC(=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C19H22N2O2/c22-19(20-10-11-21-12-14-23-15-13-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.397 g/mol  logS: -4.14676  SlogP: 2.4156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147925  Sterimol/B1: 3.08655  Sterimol/B2: 3.14256  Sterimol/B3: 3.50169
  Sterimol/B4: 5.22125  Sterimol/L: 19.852 
 
 Surface and Volume Properties
  Accessible surface: 596.238  Positive charged surface: 387.555  Negative charged surface: 197.612  Volume: 313
  Hydrophobic surface: 537.721  Hydrophilic surface: 58.517
 
 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


MMs00067871
ASINEX-ZINC00064849