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CHEMBRIDGE-ZINC00461177

 MMsINC code: MMs00622929
Type: Neutral
Formula: C15H21NO3
SMILES:   OC(=O)c1ccc(NC(=O)C(CCC)CCC)cc1
InChI:   InChI=1/C15H21NO3/c1-3-5-11(6-4-2)14(17)16-13-9-7-12(8-10-13)15(18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.337 g/mol  logS: -4.02815  SlogP: 3.5397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0348775  Sterimol/B1: 2.22318  Sterimol/B2: 2.56179  Sterimol/B3: 3.32717
  Sterimol/B4: 9.00809  Sterimol/L: 15.451 
 
 Surface and Volume Properties
  Accessible surface: 534.438  Positive charged surface: 352.516  Negative charged surface: 181.923  Volume: 270.25
  Hydrophobic surface: 363.744  Hydrophilic surface: 170.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00622930
CHEMBRIDGE-ZINC00461177