MMsINC Database Search


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MMsINC code: MMs03147249

Type: Neutral
Formula: C₁₁H₁₀O₂

SMILES:

Oc1c2c(cc(c1)C)cccc2O

InChI:

InChI=1/C11H10O2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6,12-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2881 kcal/mol

Physical Properties
Molecular Weight: 174.199 g/mol	logS: -3.01278	SlogP: 2.55942	Reactive groups: 0

Topological Properties
Globularity: 0.019136	Sterimol/B1: 2.12241	Sterimol/B2: 2.4966	Sterimol/B3: 4.07238
Sterimol/B4: 4.93794	Sterimol/L: 11.0169

Surface and Volume Properties
Accessible surface: 361.19	Positive charged surface: 208.177	Negative charged surface: 142.392	Volume: 171
Hydrophobic surface: 283.904	Hydrophilic surface: 77.286

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.