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ASINEX-ZINC02843177

 MMsINC code: MMs00279138
Type: Neutral
Formula: C14H19ClN2O
SMILES:   Clc1ccc(cc1)CC(=O)NCCN1CCCC1
InChI:   InChI=1/C14H19ClN2O/c15-13-5-3-12(4-6-13)11-14(18)16-7-10-17-8-1-2-9-17/h3-6H,1-2,7-11H2,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.772 g/mol  logS: -2.77704  SlogP: 2.09447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483129  Sterimol/B1: 2.50736  Sterimol/B2: 2.93697  Sterimol/B3: 4.31846
  Sterimol/B4: 4.433  Sterimol/L: 17.8247 
 
 Surface and Volume Properties
  Accessible surface: 530.943  Positive charged surface: 353.869  Negative charged surface: 177.074  Volume: 262.625
  Hydrophobic surface: 483.191  Hydrophilic surface: 47.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00279139
ASINEX-ZINC02843177