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ASINEX-ZINC04697700

 MMsINC code: MMs00361152
Type: Neutral
Formula: C18H25Cl3N2O2
SMILES:   ClC(Cl)(Cl)C(NC(=O)c1ccc(cc1)C(C)(C)C)NCC1OCCC1
InChI:   InChI=1/C18H25Cl3N2O2/c1-17(2,3)13-8-6-12(7-9-13)15(24)23-16(18(19,20)21)22-11-14-5-4-10-25-14/h6-9,14,16,22H,4-5,10-11H2,1-3H3,(H,23,24)/t14-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=95.5824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.769 g/mol  logS: -6.30104  SlogP: 4.5987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0795053  Sterimol/B1: 3.22441  Sterimol/B2: 4.97561  Sterimol/B3: 5.00888
  Sterimol/B4: 6.76602  Sterimol/L: 16.7451 
 
 Surface and Volume Properties
  Accessible surface: 665.131  Positive charged surface: 357.009  Negative charged surface: 308.122  Volume: 371
  Hydrophobic surface: 415.137  Hydrophilic surface: 249.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.