MMsINC Database Search


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MMsINC code: MMs00838283

Type: Neutral
Formula: C₁₈H₁₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1

InChI:

InChI=1/C18H13FN2O2/c19-14-5-3-13(4-6-14)18(22)21-15-7-9-16(10-8-15)23-17-2-1-11-20-12-17/h1-12H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.032 kcal/mol

Physical Properties
Molecular Weight: 308.312 g/mol	logS: -4.17442	SlogP: 4.2653	Reactive groups: 0

Topological Properties
Globularity: 0.0643541	Sterimol/B1: 2.29733	Sterimol/B2: 2.50741	Sterimol/B3: 5.05881
Sterimol/B4: 5.51535	Sterimol/L: 17.8962

Surface and Volume Properties
Accessible surface: 546.665	Positive charged surface: 317	Negative charged surface: 229.665	Volume: 285.875
Hydrophobic surface: 492.516	Hydrophilic surface: 54.149

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.