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ENAMINE-ZINC06901714

 MMsINC code: MMs01712000
Type: Neutral
Formula: C19H17ClN4O2
SMILES:   Clc1n(nc(C)c1\C=N\NC(=O)c1ccccc1O)Cc1ccccc1
InChI:   InChI=1/C19H17ClN4O2/c1-13-16(11-21-22-19(26)15-9-5-6-10-17(15)25)18(20)24(23-13)12-14-7-3-2-4-8-14/h2-11,25H,12H2,1H3,(H,22,26)/b21-11+

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Potential Energy
Epot(MMFF94)=113.599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.824 g/mol  logS: -4.63309  SlogP: 3.62912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464781  Sterimol/B1: 2.15399  Sterimol/B2: 3.59801  Sterimol/B3: 4.12644
  Sterimol/B4: 9.10154  Sterimol/L: 18.696 
 
 Surface and Volume Properties
  Accessible surface: 631.171  Positive charged surface: 357.333  Negative charged surface: 273.838  Volume: 341.25
  Hydrophobic surface: 505.425  Hydrophilic surface: 125.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.