MMsINC Database Search


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MMsINC code: MMs01738256

Type: Neutral
Formula: C₂₀H₁₆O₄

SMILES:

O1c2c(cc(cc2)C)C(=CC1=O)c1oc2c(ccc(OC)c2)c1C

InChI:

InChI=1/C20H16O4/c1-11-4-7-17-15(8-11)16(10-19(21)23-17)20-12(2)14-6-5-13(22-3)9-18(14)24-20/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9347 kcal/mol

Physical Properties
Molecular Weight: 320.344 g/mol	logS: -6.83151	SlogP: 4.22623	Reactive groups: 0

Topological Properties
Globularity: 0.0622505	Sterimol/B1: 2.17308	Sterimol/B2: 3.06459	Sterimol/B3: 4.06559
Sterimol/B4: 9.06768	Sterimol/L: 16.1205

Surface and Volume Properties
Accessible surface: 560.43	Positive charged surface: 339.829	Negative charged surface: 214.84	Volume: 305.125
Hydrophobic surface: 477.648	Hydrophilic surface: 82.782

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.