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NCID-ZINC01848470

 MMsINC code: MMs02371368
Type: Neutral
Formula: C18H28N2O4
SMILES:   O1CCN(CC1)Cc1cc(OCC)cc(CN2CCOCC2)c1O
InChI:   InChI=1/C18H28N2O4/c1-2-24-17-11-15(13-19-3-7-22-8-4-19)18(21)16(12-17)14-20-5-9-23-10-6-20/h11-12,21H,2-10,13-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.432 g/mol  logS: -1.72638  SlogP: 1.9881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100795  Sterimol/B1: 1.969  Sterimol/B2: 3.5668  Sterimol/B3: 3.66272
  Sterimol/B4: 10.888  Sterimol/L: 14.8524 
 
 Surface and Volume Properties
  Accessible surface: 613.643  Positive charged surface: 525.653  Negative charged surface: 87.9898  Volume: 338.5
  Hydrophobic surface: 515.348  Hydrophilic surface: 98.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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


MMs02371369
NCID-ZINC01848470