MMsINC Database Search


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MMsINC code: MMs03524489

Type: Neutral
Formula: C₁₀H₁₄O

SMILES:

OC(C)c1cccc(C)c1C

InChI:

InChI=1/C10H14O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6,9,11H,1-3H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8315 kcal/mol

Physical Properties
Molecular Weight: 150.221 g/mol	logS: -2.43095	SlogP: 2.45224	Reactive groups: 0

Topological Properties
Globularity: 0.106103	Sterimol/B1: 2.85632	Sterimol/B2: 3.01678	Sterimol/B3: 3.2209
Sterimol/B4: 5.55276	Sterimol/L: 10.3284

Surface and Volume Properties
Accessible surface: 350.6	Positive charged surface: 206.817	Negative charged surface: 143.784	Volume: 167.125
Hydrophobic surface: 287.973	Hydrophilic surface: 62.627

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.