MMsINC Database Search


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MMsINC code: MMs02626922

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

o1c2cc(O)ccc2cc1-c1ccc(OC)cc1O

InChI:

InChI=1/C15H12O4/c1-18-11-4-5-12(13(17)8-11)15-6-9-2-3-10(16)7-14(9)19-15/h2-8,16-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5653 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -4.55187	SlogP: 3.5196	Reactive groups: 0

Topological Properties
Globularity: 0.0308871	Sterimol/B1: 2.52698	Sterimol/B2: 3.28283	Sterimol/B3: 3.41179
Sterimol/B4: 4.80352	Sterimol/L: 16.4068

Surface and Volume Properties
Accessible surface: 480.728	Positive charged surface: 307.141	Negative charged surface: 167.908	Volume: 236.25
Hydrophobic surface: 369.887	Hydrophilic surface: 110.841

Pharmacophoric Properties
Hydrogen bond donors: 2	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.