MMsINC Database Search


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MMsINC code: MMs02181743

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

OC1c2c(C=C1C)cccc2

InChI:

InChI=1/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-6,10-11H,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.9268 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -1.80107	SlogP: 2.2324	Reactive groups: 0

Topological Properties
Globularity: 0.0400907	Sterimol/B1: 2.49041	Sterimol/B2: 2.81652	Sterimol/B3: 3.54268
Sterimol/B4: 4.34067	Sterimol/L: 10.5632

Surface and Volume Properties
Accessible surface: 339.404	Positive charged surface: 201.864	Negative charged surface: 137.54	Volume: 154.625
Hydrophobic surface: 292.438	Hydrophilic surface: 46.966

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.