MMsINC Database Search


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MMsINC code: MMs00927188

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C)c1ccccc1NC(=O)C=1c2c(cc(OC)c(OC)c2)C(=O)N(C=1)C

InChI:

InChI=1/C20H20N2O5/c1-22-11-14(19(23)21-15-7-5-6-8-16(15)25-2)12-9-17(26-3)18(27-4)10-13(12)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)=138.662 kcal/mol

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

Topological Properties
Globularity: 0.0138304	Sterimol/B1: 1.98659	Sterimol/B2: 2.39944	Sterimol/B3: 3.12414
Sterimol/B4: 10.7568	Sterimol/L: 17.1442

Surface and Volume Properties
Accessible surface: 618.715	Positive charged surface: 467.18	Negative charged surface: 151.535	Volume: 341.25
Hydrophobic surface: 540.799	Hydrophilic surface: 77.916

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.