MMsINC Database Search


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MMsINC code: MMs02151703

Type: Neutral
Formula: C₁₈H₁₃FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2cccnc2Oc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.293 kcal/mol

Physical Properties
Molecular Weight: 308.312 g/mol	logS: -4.48568	SlogP: 4.2653	Reactive groups: 0

Topological Properties
Globularity: 0.051792	Sterimol/B1: 2.89693	Sterimol/B2: 3.36755	Sterimol/B3: 3.68461
Sterimol/B4: 7.83741	Sterimol/L: 16.1198

Surface and Volume Properties
Accessible surface: 549.418	Positive charged surface: 309.657	Negative charged surface: 239.761	Volume: 284.625
Hydrophobic surface: 509.171	Hydrophilic surface: 40.247

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.