MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02689914

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(C)c1ccccc1-c1cnc(OC(C)(C)C)nc1OC(C)(C)C

InChI:

InChI=1/C19H26N2O3/c1-18(2,3)23-16-14(13-10-8-9-11-15(13)22-7)12-20-17(21-16)24-19(4,5)6/h8-12H,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.66 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -5.74152	SlogP: 4.5068	Reactive groups: 0

Topological Properties
Globularity: 0.18126	Sterimol/B1: 3.00355	Sterimol/B2: 4.00882	Sterimol/B3: 4.94491
Sterimol/B4: 7.91067	Sterimol/L: 14.8397

Surface and Volume Properties
Accessible surface: 597.564	Positive charged surface: 419.387	Negative charged surface: 175.99	Volume: 339.75
Hydrophobic surface: 475.095	Hydrophilic surface: 122.469

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.