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ENAMINE-ZINC03462366

MMsINC code: MMs01457885

Type: Neutral
Formula: C20H30N2O4
SMILES:   O(C(=O)C(NC(=O)c1ccccc1)C(C)C)CC(=O)N(C(C)C)C(C)C
InChI:   InChI=1/C20H30N2O4/c1-13(2)18(21-19(24)16-10-8-7-9-11-16)20(25)26-12-17(23)22(14(3)4)15(5)6/h7-11,13-15,18H,12H2,1-6H3,(H,21,24)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=97.9085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.47 g/mol  logS: -4.04535  SlogP: 2.6296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503741  Sterimol/B1: 2.29188  Sterimol/B2: 3.13283  Sterimol/B3: 4.54704
  Sterimol/B4: 7.84521  Sterimol/L: 18.1782 
 
 Surface and Volume Properties
  Accessible surface: 655.771  Positive charged surface: 418.146  Negative charged surface: 237.626  Volume: 370.75
  Hydrophobic surface: 483.422  Hydrophilic surface: 172.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.