MMsINC Database Search


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MMsINC code: MMs01343770

Type: Neutral
Formula: C₁₃H₇Cl₂FN₂O

SMILES:

Clc1cc(Nc2oc3c(n2)cc(Cl)cc3)ccc1F

InChI:

InChI=1/C13H7Cl2FN2O/c14-7-1-4-12-11(5-7)18-13(19-12)17-8-2-3-10(16)9(15)6-8/h1-6H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6116 kcal/mol

Physical Properties
Molecular Weight: 297.116 g/mol	logS: -6.00051	SlogP: 5.0173	Reactive groups: 0

Topological Properties
Globularity: 0.0189487	Sterimol/B1: 2.097	Sterimol/B2: 3.35661	Sterimol/B3: 3.71394
Sterimol/B4: 4.43331	Sterimol/L: 16.3771

Surface and Volume Properties
Accessible surface: 477.841	Positive charged surface: 186.968	Negative charged surface: 290.873	Volume: 237.625
Hydrophobic surface: 412.811	Hydrophilic surface: 65.03

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.