MMsINC Database Search


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MMsINC code: MMs02655230

Type: Neutral
Formula: C₁₇H₁₁F₂NO

SMILES:

Fc1cc(F)ccc1NC(=O)c1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9389 kcal/mol

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

Topological Properties
Globularity: 0.0143524	Sterimol/B1: 2.35196	Sterimol/B2: 2.87055	Sterimol/B3: 3.1002
Sterimol/B4: 6.91716	Sterimol/L: 15.032

Surface and Volume Properties
Accessible surface: 483.344	Positive charged surface: 223.985	Negative charged surface: 248.288	Volume: 254.875
Hydrophobic surface: 457.989	Hydrophilic surface: 25.355

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.