MMsINC Database Search


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MMsINC code: MMs03546455

Type: Neutral
Formula: C₁₀H₁₀O₂

SMILES:

OC1C=CC(O)c2c1cccc2

InChI:

InChI=1/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,9-12H/t9-,10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.3402 kcal/mol

Physical Properties
Molecular Weight: 162.188 g/mol	logS: -1.58158	SlogP: 1.5142	Reactive groups: 0

Topological Properties
Globularity: 0.110858	Sterimol/B1: 2.62988	Sterimol/B2: 3.07742	Sterimol/B3: 3.25294
Sterimol/B4: 4.63457	Sterimol/L: 9.60162

Surface and Volume Properties
Accessible surface: 349.145	Positive charged surface: 211.792	Negative charged surface: 137.353	Volume: 158
Hydrophobic surface: 229.416	Hydrophilic surface: 119.729

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.