MMsINC Database Search


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MMsINC code: MMs02698036

Type: Neutral
Formula: C₁₃H₉Cl₂FO

SMILES:

Clc1cc(ccc1Cl)COc1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7321 kcal/mol

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

Topological Properties
Globularity: 0.0941759	Sterimol/B1: 2.4449	Sterimol/B2: 3.35519	Sterimol/B3: 4.84414
Sterimol/B4: 4.9034	Sterimol/L: 15.6019

Surface and Volume Properties
Accessible surface: 466.12	Positive charged surface: 183.488	Negative charged surface: 282.631	Volume: 230.375
Hydrophobic surface: 456.839	Hydrophilic surface: 9.281

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.