MMsINC Database Search


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MMsINC code: MMs02403872

Type: Neutral
Formula: C₁₉H₁₇FN₂

SMILES:

Fc1cc2c(nccc2\C=C/c2ccc(N(C)C)cc2)cc1

InChI:

InChI=1/C19H17FN2/c1-22(2)17-8-4-14(5-9-17)3-6-15-11-12-21-19-10-7-16(20)13-18(15)19/h3-13H,1-2H3/b6-3-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.375 kcal/mol

Physical Properties
Molecular Weight: 292.357 g/mol	logS: -5.06999	SlogP: 4.6103	Reactive groups: 0

Topological Properties
Globularity: 0.0829103	Sterimol/B1: 3.42007	Sterimol/B2: 4.09339	Sterimol/B3: 4.15681
Sterimol/B4: 5.66173	Sterimol/L: 14.6983

Surface and Volume Properties
Accessible surface: 519.908	Positive charged surface: 342.631	Negative charged surface: 174.773	Volume: 291.5
Hydrophobic surface: 500.62	Hydrophilic surface: 19.288

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.