MMsINC Database Search


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MMsINC code: MMs02333919

Type: Neutral
Formula: C₁₁H₁₂O₂

SMILES:

o1c2c(cccc2OC)c(C)c1C

InChI:

InChI=1/C11H12O2/c1-7-8(2)13-11-9(7)5-4-6-10(11)12-3/h4-6H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4616 kcal/mol

Physical Properties
Molecular Weight: 176.215 g/mol	logS: -3.35445	SlogP: 3.05824	Reactive groups: 0

Topological Properties
Globularity: 0.0242518	Sterimol/B1: 2.5125	Sterimol/B2: 2.52519	Sterimol/B3: 3.34259
Sterimol/B4: 5.52638	Sterimol/L: 11.2293

Surface and Volume Properties
Accessible surface: 386.24	Positive charged surface: 254.181	Negative charged surface: 126.253	Volume: 181.75
Hydrophobic surface: 366.709	Hydrophilic surface: 19.531

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.