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ASINEX-ZINC00029343

 MMsINC code: MMs00059742
Type: Neutral
Formula: C18H24N2O4
SMILES:   O1CCCC1CNC(=O)c1cc(ccc1)C(=O)NCC1OCCC1
InChI:   InChI=1/C18H24N2O4/c21-17(19-11-15-6-2-8-23-15)13-4-1-5-14(10-13)18(22)20-12-16-7-3-9-24-16/h1,4-5,10,15-16H,2-3,6-9,11-12H2,(H,19,21)(H,20,22)/t15-,16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.4877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.4 g/mol  logS: -3.06718  SlogP: 1.5042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018694  Sterimol/B1: 2.097  Sterimol/B2: 2.52715  Sterimol/B3: 4.15347
  Sterimol/B4: 5.65178  Sterimol/L: 21.3897 
 
 Surface and Volume Properties
  Accessible surface: 628.402  Positive charged surface: 453.907  Negative charged surface: 174.495  Volume: 322.875
  Hydrophobic surface: 526.492  Hydrophilic surface: 101.91
 
 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.