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PUBCHEM-ZINC00673639

 MMsINC code: MMs02725038
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(CC(=O)NC1CCCCC1NC(=O)COc1cc(ccc1)C)c1cc(ccc1)C
InChI:   InChI=1/C24H30N2O4/c1-17-7-5-9-19(13-17)29-15-23(27)25-21-11-3-4-12-22(21)26-24(28)16-30-20-10-6-8-18(2)14-20/h5-10,13-14,21-22H,3-4,11-12,15-16H2,1-2H3,(H,25,27)(H,26,28)/t21-,22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -5.52888  SlogP: 3.30484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417658  Sterimol/B1: 2.56056  Sterimol/B2: 2.65111  Sterimol/B3: 5.4126
  Sterimol/B4: 10.4099  Sterimol/L: 21.7353 
 
 Surface and Volume Properties
  Accessible surface: 763.356  Positive charged surface: 489.499  Negative charged surface: 273.857  Volume: 412.25
  Hydrophobic surface: 678.958  Hydrophilic surface: 84.398
 
 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.