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CHEMBRIDGE-ZINC02810297

 MMsINC code: MMs00716922
Type: Neutral
Formula: C18H26ClN3O2
SMILES:   Clc1ccc(cc1)CNC(=O)C(=O)NC1CC(NC(C1)(C)C)(C)C
InChI:   InChI=1/C18H26ClN3O2/c1-17(2)9-14(10-18(3,4)22-17)21-16(24)15(23)20-11-12-5-7-13(19)8-6-12/h5-8,14,22H,9-11H2,1-4H3,(H,20,23)(H,21,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.878 g/mol  logS: -4.06603  SlogP: 2.648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709562  Sterimol/B1: 2.09089  Sterimol/B2: 3.14578  Sterimol/B3: 5.43606
  Sterimol/B4: 6.16158  Sterimol/L: 18.8808 
 
 Surface and Volume Properties
  Accessible surface: 634.172  Positive charged surface: 378.478  Negative charged surface: 255.694  Volume: 344.75
  Hydrophobic surface: 462.141  Hydrophilic surface: 172.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00716923
CHEMBRIDGE-ZINC02810297