MMsINC Database Search


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MMsINC code: MMs02997885

Type: Neutral
Formula: C₂₀H₁₅ClF₂O₂

SMILES:

Clc1ccc(OCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1

InChI:

InChI=1/C20H15ClF2O2/c21-16-5-11-19(12-6-16)25-13-20(24,14-1-7-17(22)8-2-14)15-3-9-18(23)10-4-15/h1-12,24H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.923 kcal/mol

Physical Properties
Molecular Weight: 360.787 g/mol	logS: -6.09277	SlogP: 5.2446	Reactive groups: 0

Topological Properties
Globularity: 0.178361	Sterimol/B1: 3.34644	Sterimol/B2: 3.44196	Sterimol/B3: 4.94521
Sterimol/B4: 7.93052	Sterimol/L: 15.6206

Surface and Volume Properties
Accessible surface: 579.523	Positive charged surface: 257.609	Negative charged surface: 321.914	Volume: 318.875
Hydrophobic surface: 551.031	Hydrophilic surface: 28.492

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.