MMsINC Database Search


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MMsINC code: MMs00993867

Type: Neutral
Formula: C₂₀H₁₄ClFN₂O₂

SMILES:

Clc1cc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)ccc1

InChI:

InChI=1/C20H14ClFN2O2/c21-13-6-5-7-14(12-13)23-20(26)16-9-2-4-11-18(16)24-19(25)15-8-1-3-10-17(15)22/h1-12H,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.947 kcal/mol

Physical Properties
Molecular Weight: 368.795 g/mol	logS: -6.35413	SlogP: 4.9837	Reactive groups: 0

Topological Properties
Globularity: 0.022502	Sterimol/B1: 2.45493	Sterimol/B2: 2.8411	Sterimol/B3: 2.9492
Sterimol/B4: 10.83	Sterimol/L: 15.7574

Surface and Volume Properties
Accessible surface: 594.859	Positive charged surface: 281.049	Negative charged surface: 313.81	Volume: 326
Hydrophobic surface: 540.394	Hydrophilic surface: 54.465

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.