MMsINC Database Search


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MMsINC code: MMs02139570

Type: Neutral
Formula: C₁₁H₁₀F₂N₂

SMILES:

Fc1cccc(F)c1-c1n[nH]cc1CC

InChI:

InChI=1/C11H10F2N2/c1-2-7-6-14-15-11(7)10-8(12)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8819 kcal/mol

Physical Properties
Molecular Weight: 208.211 g/mol	logS: -3.48175	SlogP: 2.91727	Reactive groups: 0

Topological Properties
Globularity: 0.200582	Sterimol/B1: 2.0186	Sterimol/B2: 2.57261	Sterimol/B3: 4.83611
Sterimol/B4: 6.07363	Sterimol/L: 11.3427

Surface and Volume Properties
Accessible surface: 389.928	Positive charged surface: 215.34	Negative charged surface: 174.588	Volume: 188.125
Hydrophobic surface: 284.392	Hydrophilic surface: 105.536

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