MMsINC Database Search


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MMsINC code: MMs02704226

Type: Neutral
Formula: C₁₉H₁₀O₄

SMILES:

O1c2c(-c3oc4c(c3C1=O)cc(O)c1c4cccc1)cccc2

InChI:

InChI=1/C19H10O4/c20-14-9-13-16-18(12-7-3-4-8-15(12)22-19(16)21)23-17(13)11-6-2-1-5-10(11)14/h1-9,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4223 kcal/mol

Physical Properties
Molecular Weight: 302.285 g/mol	logS: -7.62162	SlogP: 4.4912	Reactive groups: 0

Topological Properties
Globularity: 0.0031346	Sterimol/B1: 2.28629	Sterimol/B2: 2.30329	Sterimol/B3: 3.48659
Sterimol/B4: 6.57871	Sterimol/L: 15.4931

Surface and Volume Properties
Accessible surface: 503.865	Positive charged surface: 257.615	Negative charged surface: 229.093	Volume: 268.125
Hydrophobic surface: 394.66	Hydrophilic surface: 109.205

Pharmacophoric Properties
Hydrogen bond donors: 1	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.