MMsINC Database Search


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MMsINC code: MMs02935028

Type: Neutral
Formula: C₂₀H₁₃ClFIN₂O₂

SMILES:

Ic1cc(C(=O)Nc2ccccc2F)c(NC(=O)c2ccccc2Cl)cc1

InChI:

InChI=1/C20H13ClFIN2O2/c21-15-6-2-1-5-13(15)19(26)24-17-10-9-12(23)11-14(17)20(27)25-18-8-4-3-7-16(18)22/h1-11H,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.656 kcal/mol

Physical Properties
Molecular Weight: 494.691 g/mol	logS: -7.34565	SlogP: 5.5883	Reactive groups: 0

Topological Properties
Globularity: 0.0218715	Sterimol/B1: 2.097	Sterimol/B2: 2.65693	Sterimol/B3: 4.12784
Sterimol/B4: 11.2752	Sterimol/L: 16.0085

Surface and Volume Properties
Accessible surface: 635.784	Positive charged surface: 254.414	Negative charged surface: 381.37	Volume: 356.875
Hydrophobic surface: 592.978	Hydrophilic surface: 42.806

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.