MMsINC Database Search


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MMsINC code: MMs00623146

Type: Neutral
Formula: C₁₄H₁₂ClFO₂

SMILES:

Clc1cc(ccc1OCc1cc(F)ccc1)CO

InChI:

InChI=1/C14H12ClFO2/c15-13-7-10(8-17)4-5-14(13)18-9-11-2-1-3-12(16)6-11/h1-7,17H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.424 kcal/mol

Physical Properties
Molecular Weight: 266.699 g/mol	logS: -4.00345	SlogP: 4.0832	Reactive groups: 0

Topological Properties
Globularity: 0.0680894	Sterimol/B1: 2.44461	Sterimol/B2: 3.47458	Sterimol/B3: 4.99915
Sterimol/B4: 5.11376	Sterimol/L: 15.8484

Surface and Volume Properties
Accessible surface: 489.726	Positive charged surface: 247.737	Negative charged surface: 241.989	Volume: 237.125
Hydrophobic surface: 422.481	Hydrophilic surface: 67.245

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.