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ASINEX-ZINC04263653

 MMsINC code: MMs00322119
Type: Neutral
Formula: C20H26N2O7
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCC(=O)Nc1ccccc1)(C)C
InChI:   InChI=1/C20H26N2O7/c1-19(2)26-13-14(27-19)16-18(29-20(3,4)28-16)25-15(13)17(24)21-10-12(23)22-11-8-6-5-7-9-11/h5-9,13-16,18H,10H2,1-4H3,(H,21,24)(H,22,23)/t13-,14+,15-,16-,18+/m1/s1

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Potential Energy
Epot(MMFF94)=128.018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.435 g/mol  logS: -4.22075  SlogP: 1.1378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508056  Sterimol/B1: 2.86546  Sterimol/B2: 3.3202  Sterimol/B3: 4.17523
  Sterimol/B4: 8.83015  Sterimol/L: 18.9073 
 
 Surface and Volume Properties
  Accessible surface: 673.745  Positive charged surface: 420.818  Negative charged surface: 252.927  Volume: 369.75
  Hydrophobic surface: 450.642  Hydrophilic surface: 223.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.