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CHEMDIV-ZINC04881929

 MMsINC code: MMs00960500
Type: Neutral
Formula: C26H24N2O3
SMILES:   O(C)c1ccccc1CNC(=O)C1C2N(CCc3c2cccc3)C(=O)c2c1cccc2
InChI:   InChI=1/C26H24N2O3/c1-31-22-13-7-3-9-18(22)16-27-25(29)23-20-11-5-6-12-21(20)26(30)28-15-14-17-8-2-4-10-19(17)24(23)28/h2-13,23-24H,14-16H2,1H3,(H,27,29)/t23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=205.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.489 g/mol  logS: -5.42607  SlogP: 4.21027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0894135  Sterimol/B1: 2.39157  Sterimol/B2: 3.71892  Sterimol/B3: 5.0155
  Sterimol/B4: 8.85079  Sterimol/L: 15.531 
 
 Surface and Volume Properties
  Accessible surface: 631.371  Positive charged surface: 405.002  Negative charged surface: 226.369  Volume: 394.875
  Hydrophobic surface: 574.236  Hydrophilic surface: 57.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.