MMsINC Database Search


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MMsINC code: MMs01735119

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(C)c1cc(ccc1OC)-c1ncc2cc(OC)c(OC)cc2c1

InChI:

InChI=1/C19H19NO4/c1-21-16-6-5-12(8-17(16)22-2)15-7-13-9-18(23-3)19(24-4)10-14(13)11-20-15/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.163 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.60132	SlogP: 3.9362	Reactive groups: 0

Topological Properties
Globularity: 0.00845298	Sterimol/B1: 2.40132	Sterimol/B2: 2.61188	Sterimol/B3: 3.36865
Sterimol/B4: 7.51207	Sterimol/L: 17.6402

Surface and Volume Properties
Accessible surface: 599.855	Positive charged surface: 468.312	Negative charged surface: 114.761	Volume: 313.25
Hydrophobic surface: 550.086	Hydrophilic surface: 49.769

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: no related molecules available.