MMsINC Database Search


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MMsINC code: MMs02334559

Type: Neutral
Formula: C₆H₄Cl₂FN

SMILES:

Clc1cc(N)c(F)cc1Cl

InChI:

InChI=1/C6H4Cl2FN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.2477 kcal/mol

Physical Properties
Molecular Weight: 180.009 g/mol	logS: -2.86932	SlogP: 2.7147	Reactive groups: 0

Topological Properties
Globularity: 3.72516e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09859	Sterimol/B3: 3.27931
Sterimol/B4: 5.01767	Sterimol/L: 9.85469

Surface and Volume Properties
Accessible surface: 313.649	Positive charged surface: 113.99	Negative charged surface: 199.659	Volume: 137.125
Hydrophobic surface: 255.393	Hydrophilic surface: 58.256

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