MMsINC Database Search


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MMsINC code: MMs02181703

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

O(C)C=1c2c(CC=1)cccc2

InChI:

InChI=1/C10H10O/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.7686 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -2.13454	SlogP: 2.22997	Reactive groups: 0

Topological Properties
Globularity: 0.0251054	Sterimol/B1: 2.37532	Sterimol/B2: 2.38375	Sterimol/B3: 3.23657
Sterimol/B4: 4.77179	Sterimol/L: 11.2135

Surface and Volume Properties
Accessible surface: 344.343	Positive charged surface: 244.176	Negative charged surface: 100.167	Volume: 156.5
Hydrophobic surface: 319.898	Hydrophilic surface: 24.445

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.