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CHEMBRIDGE-ZINC00461928

 MMsINC code: MMs00623245
Type: Neutral
Formula: C15H21NO3
SMILES:   OC(=O)c1cc(NC(=O)C(CCC)CCC)ccc1
InChI:   InChI=1/C15H21NO3/c1-3-6-11(7-4-2)14(17)16-13-9-5-8-12(10-13)15(18)19/h5,8-11H,3-4,6-7H2,1-2H3,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.0089 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: 0.0377466  Sterimol/B1: 2.31409  Sterimol/B2: 2.56598  Sterimol/B3: 3.3621
  Sterimol/B4: 8.75447  Sterimol/L: 14.8259 
 
 Surface and Volume Properties
  Accessible surface: 531.154  Positive charged surface: 352.738  Negative charged surface: 178.416  Volume: 269.75
  Hydrophobic surface: 360.978  Hydrophilic surface: 170.176
 
 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


MMs00623246
CHEMBRIDGE-ZINC00461928