MMsINC Database Search


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MMsINC code: MMs02330452

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

O1C=CCc2cc(ccc12)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.5212 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -2.68583	SlogP: 2.44359	Reactive groups: 0

Topological Properties
Globularity: 0.0300833	Sterimol/B1: 2.5309	Sterimol/B2: 2.76	Sterimol/B3: 2.95032
Sterimol/B4: 5.03415	Sterimol/L: 10.8657

Surface and Volume Properties
Accessible surface: 340.922	Positive charged surface: 204.144	Negative charged surface: 136.778	Volume: 155.25
Hydrophobic surface: 324.583	Hydrophilic surface: 16.339

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.