MMsINC Database Search


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MMsINC code: MMs02850515

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

o1c2c(cc1C)c(ccc2)C

InChI:

InChI=1/C10H10O/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.4131 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -3.61752	SlogP: 3.04964	Reactive groups: 0

Topological Properties
Globularity: 0.0264454	Sterimol/B1: 2.01292	Sterimol/B2: 2.10242	Sterimol/B3: 2.51201
Sterimol/B4: 6.76157	Sterimol/L: 10.5443

Surface and Volume Properties
Accessible surface: 347.222	Positive charged surface: 198.309	Negative charged surface: 143.626	Volume: 155.375
Hydrophobic surface: 335.558	Hydrophilic surface: 11.664

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.