MMsINC Database Search


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MMsINC code: MMs03048333

Type: Neutral
Formula: C₁₄H₁₀F₃N

SMILES:

Fc1cc(ccc1F)C1Nc2c(C1)cc(F)cc2

InChI:

InChI=1/C14H10F3N/c15-10-2-4-13-9(5-10)7-14(18-13)8-1-3-11(16)12(17)6-8/h1-6,14,18H,7H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6489 kcal/mol

Physical Properties
Molecular Weight: 249.235 g/mol	logS: -4.01805	SlogP: 3.90867	Reactive groups: 0

Topological Properties
Globularity: 0.126294	Sterimol/B1: 3.06511	Sterimol/B2: 3.07379	Sterimol/B3: 3.82906
Sterimol/B4: 5.22054	Sterimol/L: 13.1691

Surface and Volume Properties
Accessible surface: 433.448	Positive charged surface: 220.114	Negative charged surface: 213.334	Volume: 217.25
Hydrophobic surface: 409.145	Hydrophilic surface: 24.303

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.