MMsINC Database Search


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MMsINC code: MMs00007294

Type: Neutral
Formula: C₈H₁₀O₂

SMILES:

Oc1cc(O)cc(C)c1C

InChI:

InChI=1/C8H10O2/c1-5-3-7(9)4-8(10)6(5)2/h3-4,9-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.7698 kcal/mol

Physical Properties
Molecular Weight: 138.166 g/mol	logS: -1.29537	SlogP: 1.71464	Reactive groups: 0

Topological Properties
Globularity: 0.0581717	Sterimol/B1: 2.02229	Sterimol/B2: 2.37121	Sterimol/B3: 2.56655
Sterimol/B4: 6.38262	Sterimol/L: 9.20643

Surface and Volume Properties
Accessible surface: 322.747	Positive charged surface: 201.146	Negative charged surface: 121.601	Volume: 139
Hydrophobic surface: 227.368	Hydrophilic surface: 95.379

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.