MMsINC Database Search


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MMsINC code: MMs00917469

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)Nc1cc(OC)ccc1)C

InChI:

InChI=1/C20H20N2O5/c1-22-11-16(19(23)21-12-6-5-7-13(8-12)25-2)14-9-17(26-3)18(27-4)10-15(14)20(22)24/h5-11H,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.783 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -3.97715	SlogP: 2.7776	Reactive groups: 0

Topological Properties
Globularity: 0.0163163	Sterimol/B1: 1.969	Sterimol/B2: 2.77165	Sterimol/B3: 2.85402
Sterimol/B4: 10.9062	Sterimol/L: 19.0961

Surface and Volume Properties
Accessible surface: 630.012	Positive charged surface: 471.058	Negative charged surface: 158.955	Volume: 339.875
Hydrophobic surface: 540.759	Hydrophilic surface: 89.253

Pharmacophoric Properties
Hydrogen bond donors: 1	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.