MMsINC Database Search


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MMsINC code: MMs02830923

Type: Neutral
Formula: C₁₇H₁₆F₂N₂

SMILES:

Fc1cccc(F)c1-c1nc2c(n1CCCC)cccc2

InChI:

InChI=1/C17H16F2N2/c1-2-3-11-21-15-10-5-4-9-14(15)20-17(21)16-12(18)7-6-8-13(16)19/h4-10H,2-3,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1767 kcal/mol

Physical Properties
Molecular Weight: 286.325 g/mol	logS: -6.01841	SlogP: 5.048	Reactive groups: 0

Topological Properties
Globularity: 0.148321	Sterimol/B1: 2.35932	Sterimol/B2: 2.80826	Sterimol/B3: 4.82005
Sterimol/B4: 8.49504	Sterimol/L: 13.6944

Surface and Volume Properties
Accessible surface: 509.296	Positive charged surface: 289.804	Negative charged surface: 219.493	Volume: 273.375
Hydrophobic surface: 465.128	Hydrophilic surface: 44.168

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.