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PUBCHEM-ZINC06581988

 MMsINC code: MMs03807914
Type: Neutral
Formula: C23H28ClNO
SMILES:   Clc1ccc(cc1)C(O)(CCN1CC2CCC(CC2)C1)c1ccccc1
InChI:   InChI=1/C23H28ClNO/c24-22-12-10-21(11-13-22)23(26,20-4-2-1-3-5-20)14-15-25-16-18-6-7-19(17-25)9-8-18/h1-5,10-13,18-19,26H,6-9,14-17H2/t18-,19+,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.936 g/mol  logS: -5.01517  SlogP: 5.3995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141896  Sterimol/B1: 2.46633  Sterimol/B2: 3.12967  Sterimol/B3: 4.74993
  Sterimol/B4: 9.88333  Sterimol/L: 15.5502 
 
 Surface and Volume Properties
  Accessible surface: 623.533  Positive charged surface: 389.37  Negative charged surface: 234.163  Volume: 369.125
  Hydrophobic surface: 596.805  Hydrophilic surface: 26.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03807915
PUBCHEM-ZINC06581988