MMsINC Database Search


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MMsINC code: MMs02219797

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(cccc2)C(O)=C(Oc2ccccc2)C1=O

InChI:

InChI=1/C15H10O4/c16-13-11-8-4-5-9-12(11)19-15(17)14(13)18-10-6-2-1-3-7-10/h1-9,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5138 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -4.26382	SlogP: 2.9112	Reactive groups: 0

Topological Properties
Globularity: 0.0756664	Sterimol/B1: 2.44245	Sterimol/B2: 3.12009	Sterimol/B3: 4.60539
Sterimol/B4: 4.91267	Sterimol/L: 14.3292

Surface and Volume Properties
Accessible surface: 448.803	Positive charged surface: 236.822	Negative charged surface: 211.981	Volume: 230.125
Hydrophobic surface: 362.722	Hydrophilic surface: 86.081

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.