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PUBCHEM-ZINC00216198

 MMsINC code: MMs02640853
Type: Neutral
Formula: C18H24N2O4
SMILES:   O1c2cc(ccc2OC1)C(=O)NCCC(=O)NC1CCCCC1C
InChI:   InChI=1/C18H24N2O4/c1-12-4-2-3-5-14(12)20-17(21)8-9-19-18(22)13-6-7-15-16(10-13)24-11-23-15/h6-7,10,12,14H,2-5,8-9,11H2,1H3,(H,19,22)(H,20,21)/t12-,14+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.3276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.4 g/mol  logS: -3.21351  SlogP: 2.2301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510769  Sterimol/B1: 2.3199  Sterimol/B2: 2.98717  Sterimol/B3: 5.04768
  Sterimol/B4: 6.37824  Sterimol/L: 19.6569 
 
 Surface and Volume Properties
  Accessible surface: 603.828  Positive charged surface: 424.437  Negative charged surface: 179.391  Volume: 320.375
  Hydrophobic surface: 456.472  Hydrophilic surface: 147.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.