MMsINC Database Search


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MMsINC code: MMs01406636

Type: Neutral
Formula: C₁₇H₁₃ClF₄N₂O₂

SMILES:

Clc1ccc(NC(=O)CN(C(=O)c2ccccc2F)C)cc1C(F)(F)F

InChI:

InChI=1/C17H13ClF4N2O2/c1-24(16(26)11-4-2-3-5-14(11)19)9-15(25)23-10-6-7-13(18)12(8-10)17(20,21)22/h2-8H,9H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6625 kcal/mol

Physical Properties
Molecular Weight: 388.748 g/mol	logS: -5.50727	SlogP: 4.5201	Reactive groups: 0

Topological Properties
Globularity: 0.0371346	Sterimol/B1: 2.36337	Sterimol/B2: 2.51966	Sterimol/B3: 4.73196
Sterimol/B4: 6.25633	Sterimol/L: 17.755

Surface and Volume Properties
Accessible surface: 579.92	Positive charged surface: 261.459	Negative charged surface: 318.461	Volume: 310.375
Hydrophobic surface: 418.296	Hydrophilic surface: 161.624

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.