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ENAMINE-ZINC02619716

 MMsINC code: MMs01254537
Type: Neutral
Formula: C20H24N4O4
SMILES:   o1nc(NC(=O)CN2C(=O)C(NC2=O)(C)c2ccc(cc2)C(C)(C)C)cc1C
InChI:   InChI=1/C20H24N4O4/c1-12-10-15(23-28-12)21-16(25)11-24-17(26)20(5,22-18(24)27)14-8-6-13(7-9-14)19(2,3)4/h6-10H,11H2,1-5H3,(H,22,27)(H,21,23,25)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=78.5435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.436 g/mol  logS: -5.41661  SlogP: 2.99772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551991  Sterimol/B1: 2.8829  Sterimol/B2: 3.50606  Sterimol/B3: 5.18192
  Sterimol/B4: 5.67256  Sterimol/L: 20.0141 
 
 Surface and Volume Properties
  Accessible surface: 651.449  Positive charged surface: 386.091  Negative charged surface: 265.358  Volume: 363.25
  Hydrophobic surface: 418.667  Hydrophilic surface: 232.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.