MMsINC Database Search


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MMsINC code: MMs01442905

Type: Neutral
Formula: C₂₀H₁₄ClFN₂O₂

SMILES:

Clc1cc(F)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.029 kcal/mol

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

Topological Properties
Globularity: 0.0205507	Sterimol/B1: 2.57213	Sterimol/B2: 3.02179	Sterimol/B3: 3.48231
Sterimol/B4: 9.72799	Sterimol/L: 16.0044

Surface and Volume Properties
Accessible surface: 596.185	Positive charged surface: 272.06	Negative charged surface: 324.125	Volume: 326.25
Hydrophobic surface: 545.597	Hydrophilic surface: 50.588

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.