MMsINC Database Search


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MMsINC code: MMs02202612

Type: Neutral
Formula: C₁₆H₁₁FN₂

SMILES:

Fc1cc(ccc1)-c1ncc(cn1)-c1ccccc1

InChI:

InChI=1/C16H11FN2/c17-15-8-4-7-13(9-15)16-18-10-14(11-19-16)12-5-2-1-3-6-12/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2623 kcal/mol

Physical Properties
Molecular Weight: 250.276 g/mol	logS: -5.69476	SlogP: 3.9497	Reactive groups: 0

Topological Properties
Globularity: 4.90333e-07	Sterimol/B1: 2.10046	Sterimol/B2: 2.10187	Sterimol/B3: 3.66211
Sterimol/B4: 3.82074	Sterimol/L: 16.3148

Surface and Volume Properties
Accessible surface: 472.359	Positive charged surface: 244.326	Negative charged surface: 211.426	Volume: 243.125
Hydrophobic surface: 451.134	Hydrophilic surface: 21.225

Pharmacophoric Properties
Hydrogen bond donors: 0	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.