MMsINC Database Search


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MMsINC code: MMs03220492

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

o1c2c(cc1-c1cc(O)c(O)cc1O)cccc2

InChI:

InChI=1/C14H10O4/c15-10-7-12(17)11(16)6-9(10)14-5-8-3-1-2-4-13(8)18-14/h1-7,15-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2034 kcal/mol

Physical Properties
Molecular Weight: 242.23 g/mol	logS: -4.13954	SlogP: 3.2166	Reactive groups: 0

Topological Properties
Globularity: 0.0311555	Sterimol/B1: 2.419	Sterimol/B2: 3.09458	Sterimol/B3: 3.19367
Sterimol/B4: 4.93923	Sterimol/L: 14.3255

Surface and Volume Properties
Accessible surface: 456.626	Positive charged surface: 263.801	Negative charged surface: 186.982	Volume: 219.5
Hydrophobic surface: 309.534	Hydrophilic surface: 147.092

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.