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CHEMBRIDGE-ZINC02866851

 MMsINC code: MMs00729692
Type: Neutral
Formula: C23H24N2O5
SMILES:   o1c2cc(NC(=O)CCCCCN3C(=O)CCC3=O)c(OC)cc2c2c1cccc2
InChI:   InChI=1/C23H24N2O5/c1-29-20-13-16-15-7-4-5-8-18(15)30-19(16)14-17(20)24-21(26)9-3-2-6-12-25-22(27)10-11-23(25)28/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.3394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.78316  SlogP: 4.2425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227226  Sterimol/B1: 2.52847  Sterimol/B2: 3.44927  Sterimol/B3: 4.32401
  Sterimol/B4: 9.73494  Sterimol/L: 22.1167 
 
 Surface and Volume Properties
  Accessible surface: 719.094  Positive charged surface: 479.573  Negative charged surface: 227.844  Volume: 385
  Hydrophobic surface: 579.74  Hydrophilic surface: 139.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.