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ASINEX-ZINC02738518

 MMsINC code: MMs00277197
Type: Neutral
Formula: C16H24N2O4
SMILES:   O1CCN(CC1)CCCNC(=O)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C16H24N2O4/c1-20-14-10-13(11-15(12-14)21-2)16(19)17-4-3-5-18-6-8-22-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.1683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.378 g/mol  logS: -2.02291  SlogP: 1.1559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205222  Sterimol/B1: 3.08899  Sterimol/B2: 3.25602  Sterimol/B3: 3.42028
  Sterimol/B4: 6.65553  Sterimol/L: 19.198 
 
 Surface and Volume Properties
  Accessible surface: 600.265  Positive charged surface: 496.248  Negative charged surface: 104.017  Volume: 304.25
  Hydrophobic surface: 519.95  Hydrophilic surface: 80.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00277198
ASINEX-ZINC02738518