MMsINC Database Search


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MMsINC code: MMs03301788

Type: Neutral
Formula: C₁₆H₁₅ClO₂

SMILES:

Clc1cc(C(=O)CCc2ccccc2)c(O)cc1C

InChI:

InChI=1/C16H15ClO2/c1-11-9-16(19)13(10-14(11)17)15(18)8-7-12-5-3-2-4-6-12/h2-6,9-10,19H,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0245 kcal/mol

Physical Properties
Molecular Weight: 274.747 g/mol	logS: -3.93389	SlogP: 4.16949	Reactive groups: 0

Topological Properties
Globularity: 0.0571085	Sterimol/B1: 3.65246	Sterimol/B2: 3.67473	Sterimol/B3: 3.87797
Sterimol/B4: 5.78992	Sterimol/L: 15.7739

Surface and Volume Properties
Accessible surface: 510.653	Positive charged surface: 272.286	Negative charged surface: 238.367	Volume: 263
Hydrophobic surface: 441.474	Hydrophilic surface: 69.179

Pharmacophoric Properties
Hydrogen bond donors: 1	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.