MMsINC Database Search


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MMsINC code: MMs01904204

Type: Neutral
Formula: C₁₅H₁₁ClO₂

SMILES:

Clc1cc(C(=O)\C=C\c2ccccc2)c(O)cc1

InChI:

InChI=1/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5236 kcal/mol

Physical Properties
Molecular Weight: 258.704 g/mol	logS: -4.33585	SlogP: 3.9417	Reactive groups: 1

Topological Properties
Globularity: 0.00161275	Sterimol/B1: 2.11132	Sterimol/B2: 2.22927	Sterimol/B3: 4.74329
Sterimol/B4: 4.94176	Sterimol/L: 14.7297

Surface and Volume Properties
Accessible surface: 486.258	Positive charged surface: 212.845	Negative charged surface: 273.413	Volume: 241.5
Hydrophobic surface: 413.195	Hydrophilic surface: 73.063

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.