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IBS-ZINC06605574

 MMsINC code: MMs01957498
Type: Neutral
Formula: C18H29N3O4
SMILES:   O1CCN(CC1)CCN(Cc1cc(OC)c(OC)cc1)C(=O)N(C)C
InChI:   InChI=1/C18H29N3O4/c1-19(2)18(22)21(8-7-20-9-11-25-12-10-20)14-15-5-6-16(23-3)17(13-15)24-4/h5-6,13H,7-12,14H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=197.445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.447 g/mol  logS: -1.45038  SlogP: 1.786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111493  Sterimol/B1: 2.05875  Sterimol/B2: 3.22137  Sterimol/B3: 4.8536
  Sterimol/B4: 9.1964  Sterimol/L: 15.8289 
 
 Surface and Volume Properties
  Accessible surface: 626.234  Positive charged surface: 544.083  Negative charged surface: 82.1514  Volume: 350.375
  Hydrophobic surface: 564.991  Hydrophilic surface: 61.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs01957499
IBS-ZINC06605574