MMsINC Database Search


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MMsINC code: MMs02819618

Type: Neutral
Formula: C₂₀H₂₁NO₄

SMILES:

O(C)c1cc(ccc1OC)Cc1nccc2c1ccc(OC)c2OC

InChI:

InChI=1/C20H21NO4/c1-22-17-7-5-13(12-19(17)24-3)11-16-14-6-8-18(23-2)20(25-4)15(14)9-10-21-16/h5-10,12H,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.702 kcal/mol

Physical Properties
Molecular Weight: 339.391 g/mol	logS: -4.16199	SlogP: 3.85997	Reactive groups: 0

Topological Properties
Globularity: 0.088804	Sterimol/B1: 2.08746	Sterimol/B2: 5.59642	Sterimol/B3: 5.74655
Sterimol/B4: 5.9768	Sterimol/L: 16.0343

Surface and Volume Properties
Accessible surface: 594.52	Positive charged surface: 481.935	Negative charged surface: 102.341	Volume: 332.375
Hydrophobic surface: 556.419	Hydrophilic surface: 38.101

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.