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CHEMBRIDGE-ZINC04868510

 MMsINC code: MMs00806478
Type: Neutral
Formula: C15H23NO3
SMILES:   O1CCN(CC1)CCOc1cc(OC(C)C)ccc1
InChI:   InChI=1/C15H23NO3/c1-13(2)19-15-5-3-4-14(12-15)18-11-8-16-6-9-17-10-7-16/h3-5,12-13H,6-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.2543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.353 g/mol  logS: -2.32943  SlogP: 2.1848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066666  Sterimol/B1: 2.16678  Sterimol/B2: 3.86265  Sterimol/B3: 3.95511
  Sterimol/B4: 6.49161  Sterimol/L: 15.9049 
 
 Surface and Volume Properties
  Accessible surface: 541.975  Positive charged surface: 419.436  Negative charged surface: 122.539  Volume: 275.875
  Hydrophobic surface: 476.654  Hydrophilic surface: 65.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00806479
CHEMBRIDGE-ZINC04868510