MMsINC Database Search


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MMsINC code: MMs01989853

Type: Neutral
Formula: C₂₂H₁₅ClF₂N₂O₂

SMILES:

Clc1ccc(cc1)C(=O)N1CC(=O)Nc2c(cc(F)cc2)C1c1ccc(F)cc1

InChI:

InChI=1/C22H15ClF2N2O2/c23-15-5-1-14(2-6-15)22(29)27-12-20(28)26-19-10-9-17(25)11-18(19)21(27)13-3-7-16(24)8-4-13/h1-11,21H,12H2,(H,26,28)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.607 kcal/mol

Physical Properties
Molecular Weight: 412.823 g/mol	logS: -6.636	SlogP: 4.8976	Reactive groups: 0

Topological Properties
Globularity: 0.402741	Sterimol/B1: 4.19531	Sterimol/B2: 4.33495	Sterimol/B3: 5.52851
Sterimol/B4: 7.20081	Sterimol/L: 14.1849

Surface and Volume Properties
Accessible surface: 591.213	Positive charged surface: 247.177	Negative charged surface: 344.036	Volume: 348.625
Hydrophobic surface: 492.518	Hydrophilic surface: 98.695

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.