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CHEMBRIDGE-ZINC00468085

 MMsINC code: MMs00625667
Type: Neutral
Formula: C15H21NO3
SMILES:   OC(=O)c1ccccc1NC(=O)C(CCC)CCC
InChI:   InChI=1/C15H21NO3/c1-3-7-11(8-4-2)14(17)16-13-10-6-5-9-12(13)15(18)19/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.9032 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: 0.0439592  Sterimol/B1: 2.04028  Sterimol/B2: 2.56837  Sterimol/B3: 3.26011
  Sterimol/B4: 9.05978  Sterimol/L: 13.3847 
 
 Surface and Volume Properties
  Accessible surface: 515.86  Positive charged surface: 351.146  Negative charged surface: 164.714  Volume: 265.125
  Hydrophobic surface: 367.26  Hydrophilic surface: 148.6
 
 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


MMs00625668
CHEMBRIDGE-ZINC00468085