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NCID-ZINC01649289

 MMsINC code: MMs02289318
Type: Neutral
Formula: C14H22N2O2
SMILES:   O(CCN(CC)CC)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C14H22N2O2/c1-4-16(5-2)10-11-18-14-8-6-13(7-9-14)15-12(3)17/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.342 g/mol  logS: -2.19702  SlogP: 2.3656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461447  Sterimol/B1: 2.2202  Sterimol/B2: 2.65288  Sterimol/B3: 4.36961
  Sterimol/B4: 5.76147  Sterimol/L: 16.7623 
 
 Surface and Volume Properties
  Accessible surface: 527.895  Positive charged surface: 370.057  Negative charged surface: 157.838  Volume: 264.25
  Hydrophobic surface: 427.973  Hydrophilic surface: 99.922
 
 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


MMs02289319
NCID-ZINC01649289