MMsINC Database Search


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MMsINC code: MMs00110375

Type: Neutral
Formula: C₁₄H₆Cl₂FNO₂

SMILES:

Clc1cc(N2C(=O)c3c(ccc(Cl)c3)C2=O)ccc1F

InChI:

InChI=1/C14H6Cl2FNO2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)8-2-4-12(17)11(16)6-8/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2756 kcal/mol

Physical Properties
Molecular Weight: 310.111 g/mol	logS: -5.52215	SlogP: 3.9331	Reactive groups: 0

Topological Properties
Globularity: 4.17169e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10023	Sterimol/B3: 2.73262
Sterimol/B4: 5.88861	Sterimol/L: 15.1858

Surface and Volume Properties
Accessible surface: 466.972	Positive charged surface: 159.577	Negative charged surface: 307.395	Volume: 241.25
Hydrophobic surface: 396.409	Hydrophilic surface: 70.563

Pharmacophoric Properties
Hydrogen bond donors: 0	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.