MMsINC Database Search


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MMsINC code: MMs02759302

Type: Neutral
Formula: C₁₅H₁₂FN₃O₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N

InChI:

InChI=1/C15H12FN3O3/c16-11-3-1-8(2-4-11)15(22)19-12-6-9(13(17)20)5-10(7-12)14(18)21/h1-7H,(H2,17,20)(H2,18,21)(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9627 kcal/mol

Physical Properties
Molecular Weight: 301.277 g/mol	logS: -4.15409	SlogP: 1.2758	Reactive groups: 0

Topological Properties
Globularity: 0.0167467	Sterimol/B1: 2.097	Sterimol/B2: 3.37171	Sterimol/B3: 4.1038
Sterimol/B4: 6.30938	Sterimol/L: 15.7046

Surface and Volume Properties
Accessible surface: 513.078	Positive charged surface: 267.367	Negative charged surface: 245.711	Volume: 259.875
Hydrophobic surface: 269.188	Hydrophilic surface: 243.89

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.