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PUBCHEM-ZINC05663290

 MMsINC code: MMs03339450
Type: Neutral
Formula: C15H20N2O3
SMILES:   O1CCN(CC1)CC(NC(=O)C)C(=O)c1ccccc1
InChI:   InChI=1/C15H20N2O3/c1-12(18)16-14(11-17-7-9-20-10-8-17)15(19)13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,16,18)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.7463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -2.05909  SlogP: 0.7062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121512  Sterimol/B1: 2.14866  Sterimol/B2: 3.10615  Sterimol/B3: 4.07511
  Sterimol/B4: 8.18387  Sterimol/L: 13.458 
 
 Surface and Volume Properties
  Accessible surface: 503.998  Positive charged surface: 351.167  Negative charged surface: 152.831  Volume: 271.5
  Hydrophobic surface: 433.279  Hydrophilic surface: 70.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03339451
PUBCHEM-ZINC05663290