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ASINEX-ZINC02903020

 MMsINC code: MMs00280750
Type: Neutral
Formula: C19H25NO3
SMILES:   O(C)c1c(C)c(OC)ccc1CNCCc1ccccc1OC
InChI:   InChI=1/C19H25NO3/c1-14-17(21-2)10-9-16(19(14)23-4)13-20-12-11-15-7-5-6-8-18(15)22-3/h5-10,20H,11-13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.413 g/mol  logS: -3.26636  SlogP: 3.61949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386285  Sterimol/B1: 2.56606  Sterimol/B2: 3.11629  Sterimol/B3: 4.34491
  Sterimol/B4: 6.69434  Sterimol/L: 18.4079 
 
 Surface and Volume Properties
  Accessible surface: 617.06  Positive charged surface: 475.079  Negative charged surface: 141.981  Volume: 328.625
  Hydrophobic surface: 589.087  Hydrophilic surface: 27.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00280751
ASINEX-ZINC02903020