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NCID-ZINC05372646

 MMsINC code: MMs02456495
Type: Neutral
Formula: C18H25NO11
SMILES:   O(C(=O)C)C1C(NC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C18H25NO11/c1-7(20)19-13-14(26-8(2)21)16(28-10(4)23)18(30-12(6)25)17(29-11(5)24)15(13)27-9(3)22/h13-18H,1-6H3,(H,19,20)/t13-,14-,15-,16-,17-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=62.5779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.394 g/mol  logS: -1.99696  SlogP: -0.8368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252512  Sterimol/B1: 2.99086  Sterimol/B2: 5.16178  Sterimol/B3: 5.56434
  Sterimol/B4: 8.22595  Sterimol/L: 14.2234 
 
 Surface and Volume Properties
  Accessible surface: 679.075  Positive charged surface: 417.771  Negative charged surface: 261.304  Volume: 376.625
  Hydrophobic surface: 520.863  Hydrophilic surface: 158.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.