MMsINC Database Search


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MMsINC code: MMs00526143

Type: Neutral
Formula: C₁₈H₁₅ClF₂N₂O₂

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1

InChI:

InChI=1/C18H15ClF2N2O2/c19-14-10-16(21)15(20)9-13(14)17(24)22-12-5-3-11(4-6-12)18(25)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.531 kcal/mol

Physical Properties
Molecular Weight: 364.779 g/mol	logS: -5.27164	SlogP: 4.1065	Reactive groups: 0

Topological Properties
Globularity: 0.0349865	Sterimol/B1: 2.14988	Sterimol/B2: 2.52777	Sterimol/B3: 4.40076
Sterimol/B4: 5.92808	Sterimol/L: 18.5749

Surface and Volume Properties
Accessible surface: 580.038	Positive charged surface: 308.077	Negative charged surface: 271.961	Volume: 309.875
Hydrophobic surface: 513.748	Hydrophilic surface: 66.29

Pharmacophoric Properties
Hydrogen bond donors: 1	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.