MMsINC Database Search


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MMsINC code: MMs00626624

Type: Neutral
Formula: C₁₄H₁₁Cl₂FO₂

SMILES:

Clc1cc(cc(Cl)c1OCc1cc(F)ccc1)CO

InChI:

InChI=1/C14H11Cl2FO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-2-1-3-11(17)4-9/h1-6,18H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6144 kcal/mol

Physical Properties
Molecular Weight: 301.144 g/mol	logS: -4.73774	SlogP: 4.7366	Reactive groups: 0

Topological Properties
Globularity: 0.0203212	Sterimol/B1: 2.63299	Sterimol/B2: 2.98613	Sterimol/B3: 3.53015
Sterimol/B4: 5.96963	Sterimol/L: 15.9693

Surface and Volume Properties
Accessible surface: 494.562	Positive charged surface: 224.787	Negative charged surface: 269.774	Volume: 255.375
Hydrophobic surface: 419.539	Hydrophilic surface: 75.023

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.