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ASINEX-ZINC04268436

 MMsINC code: MMs00322220
Type: Neutral
Formula: C18H32N2O4
SMILES:   O1CCN(CC1)CCCNC(=O)C(C(OCC)=O)C1CCCCC1
InChI:   InChI=1/C18H32N2O4/c1-2-24-18(22)16(15-7-4-3-5-8-15)17(21)19-9-6-10-20-11-13-23-14-12-20/h15-16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.464 g/mol  logS: -3.44738  SlogP: 1.5845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436249  Sterimol/B1: 3.00896  Sterimol/B2: 3.34679  Sterimol/B3: 4.23836
  Sterimol/B4: 7.06482  Sterimol/L: 19.3387 
 
 Surface and Volume Properties
  Accessible surface: 644.052  Positive charged surface: 532.986  Negative charged surface: 111.066  Volume: 348.125
  Hydrophobic surface: 549.122  Hydrophilic surface: 94.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00322221
ASINEX-ZINC04268436