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IFLAB-ZINC04941367

 MMsINC code: MMs02068570
Type: Neutral
Formula: C19H26N2O4
SMILES:   O1C(COC12CCCCC2)CNC(=O)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C19H26N2O4/c1-14(15-8-4-2-5-9-15)21-18(23)17(22)20-12-16-13-24-19(25-16)10-6-3-7-11-19/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,20,22)(H,21,23)/t14-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.6482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.427 g/mol  logS: -3.99201  SlogP: 2.1513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500413  Sterimol/B1: 2.6777  Sterimol/B2: 2.67963  Sterimol/B3: 4.69608
  Sterimol/B4: 6.88375  Sterimol/L: 18.6658 
 
 Surface and Volume Properties
  Accessible surface: 643.828  Positive charged surface: 436.591  Negative charged surface: 207.237  Volume: 339.375
  Hydrophobic surface: 522.573  Hydrophilic surface: 121.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.