MMsINC Database Search


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MMsINC code: MMs03538697

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

o1c2cc(O)ccc2cc1-c1cc(O)cc(O)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.1858 kcal/mol

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

Topological Properties
Globularity: 0.00566442	Sterimol/B1: 2.15205	Sterimol/B2: 2.21461	Sterimol/B3: 2.56499
Sterimol/B4: 5.8398	Sterimol/L: 14.293

Surface and Volume Properties
Accessible surface: 452.776	Positive charged surface: 260.879	Negative charged surface: 185.513	Volume: 219.375
Hydrophobic surface: 290.887	Hydrophilic surface: 161.889

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.