MMsINC Database Search


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MMsINC code: MMs02215211

Type: Neutral
Formula: C₁₄H₁₄F₂N₂

SMILES:

Fc1cc(N)c(cc1)CCc1ccc(F)cc1N

InChI:

InChI=1/C14H14F2N2/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8H,1-2,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2802 kcal/mol

Physical Properties
Molecular Weight: 248.276 g/mol	logS: -3.281	SlogP: 2.91434	Reactive groups: 0

Topological Properties
Globularity: 0.0287769	Sterimol/B1: 2.41771	Sterimol/B2: 2.63119	Sterimol/B3: 2.80793
Sterimol/B4: 5.74153	Sterimol/L: 14.8186

Surface and Volume Properties
Accessible surface: 446.118	Positive charged surface: 238.97	Negative charged surface: 207.148	Volume: 230.5
Hydrophobic surface: 373.104	Hydrophilic surface: 73.014

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.