MMsINC Database Search


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MMsINC code: MMs03524638

Type: Neutral
Formula: C₁₁H₁₂O

SMILES:

o1c2c(c(C)c1C)c(ccc2)C

InChI:

InChI=1/C11H12O/c1-7-5-4-6-10-11(7)8(2)9(3)12-10/h4-6H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.2647 kcal/mol

Physical Properties
Molecular Weight: 160.216 g/mol	logS: -3.77799	SlogP: 3.35806	Reactive groups: 0

Topological Properties
Globularity: 0.0366408	Sterimol/B1: 1.969	Sterimol/B2: 2.10222	Sterimol/B3: 2.50782
Sterimol/B4: 6.85696	Sterimol/L: 10.4119

Surface and Volume Properties
Accessible surface: 364.713	Positive charged surface: 208.643	Negative charged surface: 150.013	Volume: 171.875
Hydrophobic surface: 353.159	Hydrophilic surface: 11.554

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