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IBS-ZINC02316269

 MMsINC code: MMs01830699
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)Nc1cc2CCCN(c2cc1)C(=O)c1ccccc1
InChI:   InChI=1/C25H24N2O4/c1-30-22-13-10-19(16-23(22)31-2)24(28)26-20-11-12-21-18(15-20)9-6-14-27(21)25(29)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=196.338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.70527  SlogP: 4.54907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237541  Sterimol/B1: 2.31548  Sterimol/B2: 2.81624  Sterimol/B3: 4.07604
  Sterimol/B4: 7.16413  Sterimol/L: 22.4995 
 
 Surface and Volume Properties
  Accessible surface: 707.038  Positive charged surface: 473.915  Negative charged surface: 233.123  Volume: 398.5
  Hydrophobic surface: 627.17  Hydrophilic surface: 79.868
 
 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.