MMsINC Database Search


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MMsINC code: MMs03269570

Type: Neutral
Formula: C₁₅H₂₃ClO₂

SMILES:

Clc1cc(cc(CO)c1O)C(CC(C)(C)C)(C)C

InChI:

InChI=1/C15H23ClO2/c1-14(2,3)9-15(4,5)11-6-10(8-17)13(18)12(16)7-11/h6-7,17-18H,8-9H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.917 kcal/mol

Physical Properties
Molecular Weight: 270.8 g/mol	logS: -5.6087	SlogP: 4.5181	Reactive groups: 0

Topological Properties
Globularity: 0.116208	Sterimol/B1: 1.98536	Sterimol/B2: 4.06709	Sterimol/B3: 5.42923
Sterimol/B4: 6.09084	Sterimol/L: 13.054

Surface and Volume Properties
Accessible surface: 482.564	Positive charged surface: 293.863	Negative charged surface: 188.701	Volume: 269.625
Hydrophobic surface: 314.835	Hydrophilic surface: 167.729

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