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ENAMINE-ZINC07058073

 MMsINC code: MMs01721258
Type: Neutral
Formula: C25H22N2O4
SMILES:   O(C)c1cc(ccc1)CNC(=O)C(N1C(=O)c2c(cccc2)C1=O)Cc1ccccc1
InChI:   InChI=1/C25H22N2O4/c1-31-19-11-7-10-18(14-19)16-26-23(28)22(15-17-8-3-2-4-9-17)27-24(29)20-12-5-6-13-21(20)25(27)30/h2-14,22H,15-16H2,1H3,(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.1589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.461 g/mol  logS: -5.75495  SlogP: 3.48527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919776  Sterimol/B1: 2.44351  Sterimol/B2: 4.65816  Sterimol/B3: 6.08852
  Sterimol/B4: 6.98518  Sterimol/L: 18.2818 
 
 Surface and Volume Properties
  Accessible surface: 699.674  Positive charged surface: 413.659  Negative charged surface: 286.015  Volume: 397.125
  Hydrophobic surface: 600.655  Hydrophilic surface: 99.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.