MMsINC Database Search


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MMsINC code: MMs03539155

Type: Neutral
Formula: C₁₄H₁₄O₃

SMILES:

Oc1ccc(cc1CO)Cc1ccc(O)cc1

InChI:

InChI=1/C14H14O3/c15-9-12-8-11(3-6-14(12)17)7-10-1-4-13(16)5-2-10/h1-6,8,15-17H,7,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.2347 kcal/mol

Physical Properties
Molecular Weight: 230.263 g/mol	logS: -2.54838	SlogP: 2.44727	Reactive groups: 0

Topological Properties
Globularity: 0.111138	Sterimol/B1: 3.36374	Sterimol/B2: 3.55082	Sterimol/B3: 3.96653
Sterimol/B4: 5.66904	Sterimol/L: 13.2245

Surface and Volume Properties
Accessible surface: 452.062	Positive charged surface: 293.268	Negative charged surface: 158.794	Volume: 226.25
Hydrophobic surface: 299.866	Hydrophilic surface: 152.196

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.