MMsINC Database Search


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MMsINC code: MMs02698075

Type: Neutral
Formula: C₁₃H₉Cl₂FO

SMILES:

Clc1cccc(Cl)c1COc1ccc(F)cc1

InChI:

InChI=1/C13H9Cl2FO/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7737 kcal/mol

Physical Properties
Molecular Weight: 271.118 g/mol	logS: -4.96672	SlogP: 4.9779	Reactive groups: 0

Topological Properties
Globularity: 0.102616	Sterimol/B1: 3.56418	Sterimol/B2: 3.93516	Sterimol/B3: 4.73148
Sterimol/B4: 4.75821	Sterimol/L: 14.4022

Surface and Volume Properties
Accessible surface: 457.999	Positive charged surface: 176.834	Negative charged surface: 281.166	Volume: 229.125
Hydrophobic surface: 450.234	Hydrophilic surface: 7.765

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.