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ENAMINE-ZINC05673634

 MMsINC code: MMs01631651
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(C)c1ccc(cc1)CCNC(=O)CCCN1C(=O)c2c3c(cccc3ccc2)C1=O
InChI:   InChI=1/C25H24N2O4/c1-31-19-12-10-17(11-13-19)14-15-26-22(28)9-4-16-27-24(29)20-7-2-5-18-6-3-8-21(23(18)20)25(27)30/h2-3,5-8,10-13H,4,9,14-16H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.4471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.94862  SlogP: 3.58347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531349  Sterimol/B1: 3.15919  Sterimol/B2: 3.30136  Sterimol/B3: 5.4798
  Sterimol/B4: 6.13541  Sterimol/L: 22.5327 
 
 Surface and Volume Properties
  Accessible surface: 731.929  Positive charged surface: 466.93  Negative charged surface: 253.368  Volume: 399.875
  Hydrophobic surface: 613.544  Hydrophilic surface: 118.385
 
 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.