MMsINC Database Search


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MMsINC code: MMs02652667

Type: Neutral
Formula: C₁₈H₁₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccc(Oc2cccnc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.017 kcal/mol

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

Topological Properties
Globularity: 0.0648919	Sterimol/B1: 2.92271	Sterimol/B2: 3.00522	Sterimol/B3: 4.70772
Sterimol/B4: 4.95753	Sterimol/L: 17.622

Surface and Volume Properties
Accessible surface: 542.238	Positive charged surface: 319.058	Negative charged surface: 223.179	Volume: 283
Hydrophobic surface: 491.797	Hydrophilic surface: 50.441

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.