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NIH-ZINC04388873

 MMsINC code: MMs02535170
Type: Neutral
Formula: C25H31N3O7
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NC1CCN(CC1)CC(=O)Nc1cc(ccc1)C(OC)=O
InChI:   InChI=1/C25H31N3O7/c1-32-20-13-17(14-21(33-2)23(20)34-3)24(30)27-18-8-10-28(11-9-18)15-22(29)26-19-7-5-6-16(12-19)25(31)35-4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,26,29)(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.537 g/mol  logS: -4.51058  SlogP: 2.3319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082466  Sterimol/B1: 2.18888  Sterimol/B2: 4.47321  Sterimol/B3: 7.84554
  Sterimol/B4: 8.54935  Sterimol/L: 21.1949 
 
 Surface and Volume Properties
  Accessible surface: 838.455  Positive charged surface: 661.638  Negative charged surface: 176.817  Volume: 456.5
  Hydrophobic surface: 707.604  Hydrophilic surface: 130.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules


MMs02535171
NIH-ZINC04388873