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CHEMDIV-ZINC05730457

 MMsINC code: MMs00997328
Type: Neutral
Formula: C16H24N2O3
SMILES:   O1CCN(CC1)CCNC(=O)COc1cc(ccc1C)C
InChI:   InChI=1/C16H24N2O3/c1-13-3-4-14(2)15(11-13)21-12-16(19)17-5-6-18-7-9-20-10-8-18/h3-4,11H,5-10,12H2,1-2H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.7008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.379 g/mol  logS: -2.43159  SlogP: 1.13064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212696  Sterimol/B1: 1.98963  Sterimol/B2: 2.96622  Sterimol/B3: 3.31312
  Sterimol/B4: 7.58837  Sterimol/L: 18.3081 
 
 Surface and Volume Properties
  Accessible surface: 592.883  Positive charged surface: 450.897  Negative charged surface: 141.987  Volume: 298.375
  Hydrophobic surface: 524.712  Hydrophilic surface: 68.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00997329
CHEMDIV-ZINC05730457