MMsINC Database Search


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MMsINC code: MMs02845783

Type: Neutral
Formula: C₁₀H₁₂O₂

SMILES:

O1CC1Cc1ccc(OC)cc1

InChI:

InChI=1/C10H12O2/c1-11-9-4-2-8(3-5-9)6-10-7-12-10/h2-5,10H,6-7H2,1H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5547 kcal/mol

Physical Properties
Molecular Weight: 164.204 g/mol	logS: -1.76177	SlogP: 1.63647	Reactive groups: 1

Topological Properties
Globularity: 0.058025	Sterimol/B1: 2.62407	Sterimol/B2: 2.93474	Sterimol/B3: 3.18117
Sterimol/B4: 4.56477	Sterimol/L: 13.1502

Surface and Volume Properties
Accessible surface: 382.808	Positive charged surface: 250.723	Negative charged surface: 132.085	Volume: 171
Hydrophobic surface: 347.931	Hydrophilic surface: 34.877

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.