MMsINC Database Search


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MMsINC code: MMs02657487

Type: Neutral
Formula: C₁₄H₁₀O₃

SMILES:

o1c2cc(O)ccc2cc1-c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4842 kcal/mol

Physical Properties
Molecular Weight: 226.231 g/mol	logS: -4.50149	SlogP: 3.511	Reactive groups: 0

Topological Properties
Globularity: 0.00395431	Sterimol/B1: 2.09937	Sterimol/B2: 2.2174	Sterimol/B3: 2.5865
Sterimol/B4: 5.32774	Sterimol/L: 14.8575

Surface and Volume Properties
Accessible surface: 437.884	Positive charged surface: 247.854	Negative charged surface: 184.468	Volume: 211.75
Hydrophobic surface: 327.702	Hydrophilic surface: 110.182

Pharmacophoric Properties
Hydrogen bond donors: 2	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.