MMsINC Database Search


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MMsINC code: MMs02677148

Type: Neutral
Formula: C₁₄H₁₀O₃

SMILES:

Oc1c2cc(O)ccc2cc2c1cc(O)cc2

InChI:

InChI=1/C14H10O3/c15-10-3-1-8-5-9-2-4-11(16)7-13(9)14(17)12(8)6-10/h1-7,15-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0151 kcal/mol

Physical Properties
Molecular Weight: 226.231 g/mol	logS: -4.05479	SlogP: 3.1098	Reactive groups: 0

Topological Properties
Globularity: 0.00763084	Sterimol/B1: 2.21291	Sterimol/B2: 2.29768	Sterimol/B3: 2.57824
Sterimol/B4: 5.99156	Sterimol/L: 13.1353

Surface and Volume Properties
Accessible surface: 419.3	Positive charged surface: 227.5	Negative charged surface: 169.658	Volume: 208.875
Hydrophobic surface: 277.298	Hydrophilic surface: 142.002

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.