MMsINC Database Search


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MMsINC code: MMs03539154

Type: Neutral
Formula: C₁₅H₁₆O₄

SMILES:

Oc1c(cc(cc1CO)Cc1ccc(O)cc1)CO

InChI:

InChI=1/C15H16O4/c16-8-12-6-11(7-13(9-17)15(12)19)5-10-1-3-14(18)4-2-10/h1-4,6-7,16-19H,5,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9529 kcal/mol

Physical Properties
Molecular Weight: 260.289 g/mol	logS: -2.3194	SlogP: 2.20597	Reactive groups: 0

Topological Properties
Globularity: 0.113552	Sterimol/B1: 3.50507	Sterimol/B2: 3.95306	Sterimol/B3: 4.57407
Sterimol/B4: 6.97137	Sterimol/L: 13.4477

Surface and Volume Properties
Accessible surface: 489.837	Positive charged surface: 338.374	Negative charged surface: 151.463	Volume: 250.125
Hydrophobic surface: 290.235	Hydrophilic surface: 199.602

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.