MMsINC Database Search


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MMsINC code: MMs01632316

Type: Neutral
Formula: C₁₇H₁₁F₂NO

SMILES:

Fc1cc(NC(=O)c2cc3c(cc2)cccc3)ccc1F

InChI:

InChI=1/C17H11F2NO/c18-15-8-7-14(10-16(15)19)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2379 kcal/mol

Physical Properties
Molecular Weight: 283.277 g/mol	logS: -5.82271	SlogP: 4.3703	Reactive groups: 0

Topological Properties
Globularity: 0.0123356	Sterimol/B1: 2.57073	Sterimol/B2: 2.64153	Sterimol/B3: 4.10607
Sterimol/B4: 4.18864	Sterimol/L: 16.7352

Surface and Volume Properties
Accessible surface: 495.893	Positive charged surface: 228.416	Negative charged surface: 256.663	Volume: 255.5
Hydrophobic surface: 458.594	Hydrophilic surface: 37.299

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.