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ASINEX-ZINC02080173

 MMsINC code: MMs00263505
Type: Neutral
Formula: C15H22N2O2
SMILES:   O1CCN(CC1)CCCNC(=O)c1ccc(cc1)C
InChI:   InChI=1/C15H22N2O2/c1-13-3-5-14(6-4-13)15(18)16-7-2-8-17-9-11-19-12-10-17/h3-6H,2,7-12H2,1H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.5402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -2.39607  SlogP: 1.44712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234365  Sterimol/B1: 2.85246  Sterimol/B2: 2.95095  Sterimol/B3: 3.43357
  Sterimol/B4: 5.59455  Sterimol/L: 18.1526 
 
 Surface and Volume Properties
  Accessible surface: 541.003  Positive charged surface: 401.684  Negative charged surface: 139.319  Volume: 270.375
  Hydrophobic surface: 482.939  Hydrophilic surface: 58.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00263506
ASINEX-ZINC02080173