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ASINEX-ZINC00407375

 MMsINC code: MMs00128319
Type: Neutral
Formula: C19H23NO4
SMILES:   O1CC2(C3CC1(C(=O)Nc1ccc(cc1)C(OC)=O)C2(CC3)C)C
InChI:   InChI=1/C19H23NO4/c1-17-11-24-19(10-13(17)8-9-18(17,19)2)16(22)20-14-6-4-12(5-7-14)15(21)23-3/h4-7,13H,8-11H2,1-3H3,(H,20,22)/t13-,17+,18-,19+/m1/s1

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Potential Energy
Epot(MMFF94)=131.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -4.10915  SlogP: 3.007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0674113  Sterimol/B1: 2.25583  Sterimol/B2: 3.04163  Sterimol/B3: 5.37484
  Sterimol/B4: 6.40297  Sterimol/L: 17.6207 
 
 Surface and Volume Properties
  Accessible surface: 569.054  Positive charged surface: 397.035  Negative charged surface: 172.02  Volume: 319.875
  Hydrophobic surface: 459.343  Hydrophilic surface: 109.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.