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ASINEX-ZINC00311636

 MMsINC code: MMs00116207
Type: Neutral
Formula: C14H18N2O3
SMILES:   O(C)c1cc(ccc1)C(=O)N1CCC(CC1)C(=O)N
InChI:   InChI=1/C14H18N2O3/c1-19-12-4-2-3-11(9-12)14(18)16-7-5-10(6-8-16)13(15)17/h2-4,9-10H,5-8H2,1H3,(H2,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.9718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.309 g/mol  logS: -2.06282  SlogP: 1.0327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914603  Sterimol/B1: 2.35221  Sterimol/B2: 3.12305  Sterimol/B3: 4.20542
  Sterimol/B4: 6.73337  Sterimol/L: 14.0906 
 
 Surface and Volume Properties
  Accessible surface: 485.388  Positive charged surface: 348.047  Negative charged surface: 137.341  Volume: 252.5
  Hydrophobic surface: 344.213  Hydrophilic surface: 141.175
 
 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: no related molecules available.