MMsINC Database Search


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MMsINC code: MMs02631664

Type: Neutral
Formula: C₁₀H₁₀O₂

SMILES:

Oc1cc2CC(C)C(=O)c2cc1

InChI:

InChI=1/C10H10O2/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h2-3,5-6,11H,4H2,1H3/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.6135 kcal/mol

Physical Properties
Molecular Weight: 162.188 g/mol	logS: -1.5954	SlogP: 1.76707	Reactive groups: 0

Topological Properties
Globularity: 0.0759824	Sterimol/B1: 2.42776	Sterimol/B2: 3.59883	Sterimol/B3: 3.63619
Sterimol/B4: 4.25338	Sterimol/L: 10.8904

Surface and Volume Properties
Accessible surface: 347.445	Positive charged surface: 214.664	Negative charged surface: 132.781	Volume: 159.375
Hydrophobic surface: 236.532	Hydrophilic surface: 110.913

Pharmacophoric Properties
Hydrogen bond donors: 1	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.