MMsINC Database Search


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MMsINC code: MMs03524687

Type: Neutral
Formula: C₁₁H₁₂O

SMILES:

o1c2c(cccc2C)c(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1836 kcal/mol

Physical Properties
Molecular Weight: 160.216 g/mol	logS: -3.46454	SlogP: 3.35806	Reactive groups: 0

Topological Properties
Globularity: 0.03214	Sterimol/B1: 2.493	Sterimol/B2: 2.51154	Sterimol/B3: 2.51257
Sterimol/B4: 6.16966	Sterimol/L: 10.2498

Surface and Volume Properties
Accessible surface: 370.35	Positive charged surface: 221.516	Negative charged surface: 143.022	Volume: 173.25
Hydrophobic surface: 363.667	Hydrophilic surface: 6.683

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.