MMsINC Database Search


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MMsINC code: MMs02098718

Type: Neutral
Formula: C₁₇H₁₀F₅NO

SMILES:

Fc1cc(F)ccc1Oc1nc2c(cccc2C)c(c1)C(F)(F)F

InChI:

InChI=1/C17H10F5NO/c1-9-3-2-4-11-12(17(20,21)22)8-15(23-16(9)11)24-14-6-5-10(18)7-13(14)19/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4983 kcal/mol

Physical Properties
Molecular Weight: 339.263 g/mol	logS: -5.87437	SlogP: 5.94402	Reactive groups: 0

Topological Properties
Globularity: 0.0892435	Sterimol/B1: 2.49037	Sterimol/B2: 3.65164	Sterimol/B3: 3.93307
Sterimol/B4: 7.88678	Sterimol/L: 13.3008

Surface and Volume Properties
Accessible surface: 503.254	Positive charged surface: 204.186	Negative charged surface: 294.313	Volume: 270
Hydrophobic surface: 397.61	Hydrophilic surface: 105.644

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.