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PUBCHEM-ZINC06349318

 MMsINC code: MMs03679365
Type: Neutral
Formula: C26H26N2O3
SMILES:   O(CC1c2c(-c3c1cccc3)cccc2)C(=O)NC(Cc1ccccc1)C(=O)NCC
InChI:   InChI=1/C26H26N2O3/c1-2-27-25(29)24(16-18-10-4-3-5-11-18)28-26(30)31-17-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,23-24H,2,16-17H2,1H3,(H,27,29)(H,28,30)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.9099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.505 g/mol  logS: -6.42179  SlogP: 4.27247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532676  Sterimol/B1: 2.88515  Sterimol/B2: 3.59406  Sterimol/B3: 3.91661
  Sterimol/B4: 10.2176  Sterimol/L: 17.8588 
 
 Surface and Volume Properties
  Accessible surface: 716.042  Positive charged surface: 425.449  Negative charged surface: 281.214  Volume: 412.375
  Hydrophobic surface: 621.662  Hydrophilic surface: 94.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.