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ENAMINE-ZINC03300420

 MMsINC code: MMs01358243
Type: Neutral
Formula: C14H20N2O3
SMILES:   O(C(=O)c1ccc(N(C)C)cc1)CC(=O)NCCC
InChI:   InChI=1/C14H20N2O3/c1-4-9-15-13(17)10-19-14(18)11-5-7-12(8-6-11)16(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.0691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.39557  SlogP: 1.4356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00927476  Sterimol/B1: 2.376  Sterimol/B2: 2.51141  Sterimol/B3: 2.9914
  Sterimol/B4: 5.44934  Sterimol/L: 19.3876 
 
 Surface and Volume Properties
  Accessible surface: 546.9  Positive charged surface: 408.422  Negative charged surface: 138.478  Volume: 268.25
  Hydrophobic surface: 432.451  Hydrophilic surface: 114.449
 
 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: no related molecules available.