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NCID-ZINC01668165

 MMsINC code: MMs02304255
Type: Neutral
Formula: C23H27ClN2O3
SMILES:   Clc1ccc(cc1)C(N1CCOCC1)C(N1CCOCC1)C(=O)c1ccccc1
InChI:   InChI=1/C23H27ClN2O3/c24-20-8-6-18(7-9-20)21(25-10-14-28-15-11-25)22(26-12-16-29-17-13-26)23(27)19-4-2-1-3-5-19/h1-9,21-22H,10-17H2/t21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=257.938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.933 g/mol  logS: -4.57072  SlogP: 3.3925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.404214  Sterimol/B1: 4.0472  Sterimol/B2: 4.07614  Sterimol/B3: 6.87508
  Sterimol/B4: 7.00666  Sterimol/L: 15.5836 
 
 Surface and Volume Properties
  Accessible surface: 623.081  Positive charged surface: 408.503  Negative charged surface: 214.577  Volume: 389.375
  Hydrophobic surface: 591.111  Hydrophilic surface: 31.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs02304256
NCID-ZINC01668165