MMsINC Database Search


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MMsINC code: MMs00556745

Type: Neutral
Formula: C₁₇H₁₃F₃N₂O₂

SMILES:

Fc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(F)cc2)ccc1F

InChI:

InChI=1/C17H13F3N2O2/c18-11-1-4-13(5-2-11)22-9-10(7-16(22)23)17(24)21-12-3-6-14(19)15(20)8-12/h1-6,8,10H,7,9H2,(H,21,24)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4878 kcal/mol

Physical Properties
Molecular Weight: 334.297 g/mol	logS: -4.14959	SlogP: 3.0955	Reactive groups: 0

Topological Properties
Globularity: 0.0894029	Sterimol/B1: 2.80657	Sterimol/B2: 4.63844	Sterimol/B3: 4.85281
Sterimol/B4: 5.21715	Sterimol/L: 16.0765

Surface and Volume Properties
Accessible surface: 538.963	Positive charged surface: 271.346	Negative charged surface: 267.617	Volume: 280.875
Hydrophobic surface: 473.085	Hydrophilic surface: 65.878

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.