MMsINC Database Search


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MMsINC code: MMs03541509

Type: Neutral
Formula: C₈H₁₀O₃

SMILES:

Oc1ccccc1C(O)CO

InChI:

InChI=1/C8H10O3/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8-11H,5H2/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2613 kcal/mol

Physical Properties
Molecular Weight: 154.165 g/mol	logS: -0.59141	SlogP: 0.5134	Reactive groups: 0

Topological Properties
Globularity: 0.0975755	Sterimol/B1: 2.4643	Sterimol/B2: 2.49208	Sterimol/B3: 3.25394
Sterimol/B4: 5.26948	Sterimol/L: 10.7995

Surface and Volume Properties
Accessible surface: 335.763	Positive charged surface: 204.425	Negative charged surface: 131.338	Volume: 147.375
Hydrophobic surface: 203.365	Hydrophilic surface: 132.398

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.