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CHEMBRIDGE-ZINC04733304

 MMsINC code: MMs00781126
Type: Neutral
Formula: C15H20N2O4
SMILES:   O1CCN(CC1)c1ccc(cc1NC(=O)CC)C(OC)=O
InChI:   InChI=1/C15H20N2O4/c1-3-14(18)16-12-10-11(15(19)20-2)4-5-13(12)17-6-8-21-9-7-17/h4-5,10H,3,6-9H2,1-2H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -2.39672  SlogP: 1.6583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903837  Sterimol/B1: 2.40045  Sterimol/B2: 3.4581  Sterimol/B3: 3.7853
  Sterimol/B4: 9.66287  Sterimol/L: 14.0391 
 
 Surface and Volume Properties
  Accessible surface: 549.871  Positive charged surface: 427.696  Negative charged surface: 122.175  Volume: 282.25
  Hydrophobic surface: 432.628  Hydrophilic surface: 117.243
 
 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.