MMsINC Database Search


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MMsINC code: MMs00011569

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

Oc1c2CC=CCc2ccc1

InChI:

InChI=1/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.4928 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -2.0611	SlogP: 2.04694	Reactive groups: 0

Topological Properties
Globularity: 0.0551453	Sterimol/B1: 2.21125	Sterimol/B2: 2.90556	Sterimol/B3: 3.03364
Sterimol/B4: 5.35753	Sterimol/L: 9.96007

Surface and Volume Properties
Accessible surface: 334.974	Positive charged surface: 220.108	Negative charged surface: 114.866	Volume: 151.75
Hydrophobic surface: 256.241	Hydrophilic surface: 78.733

Pharmacophoric Properties
Hydrogen bond donors: 1	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.