MMsINC Database Search


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MMsINC code: MMs01088142

Type: Neutral
Formula: C₁₄H₉FN₂O

SMILES:

Fc1ccccc1C=1NC(=O)c2c(N=1)cccc2

InChI:

InChI=1/C14H9FN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0127 kcal/mol

Physical Properties
Molecular Weight: 240.237 g/mol	logS: -4.25433	SlogP: 2.6474	Reactive groups: 0

Topological Properties
Globularity: 6.07032e-07	Sterimol/B1: 2.10027	Sterimol/B2: 2.10048	Sterimol/B3: 3.99548
Sterimol/B4: 4.92343	Sterimol/L: 14.1847

Surface and Volume Properties
Accessible surface: 428.98	Positive charged surface: 219.917	Negative charged surface: 209.062	Volume: 216.625
Hydrophobic surface: 355.115	Hydrophilic surface: 73.865

Pharmacophoric Properties
Hydrogen bond donors: 1	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.