MMsINC Database Search


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MMsINC code: MMs00494530

Type: Neutral
Formula: C₁₇H₁₃FN₂O₃

SMILES:

Fc1ccc(cc1)C1N(C(=O)C(=O)C1C(=O)C)c1cccnc1

InChI:

InChI=1/C17H13FN2O3/c1-10(21)14-15(11-4-6-12(18)7-5-11)20(17(23)16(14)22)13-3-2-8-19-9-13/h2-9,14-15H,1H3/t14-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0861 kcal/mol

Physical Properties
Molecular Weight: 312.3 g/mol	logS: -2.8611	SlogP: 2.1784	Reactive groups: 0

Topological Properties
Globularity: 0.198254	Sterimol/B1: 3.02953	Sterimol/B2: 3.38145	Sterimol/B3: 4.52732
Sterimol/B4: 7.80788	Sterimol/L: 13.2517

Surface and Volume Properties
Accessible surface: 499.138	Positive charged surface: 263.658	Negative charged surface: 235.48	Volume: 276.75
Hydrophobic surface: 380.531	Hydrophilic surface: 118.607

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00494534 CHEMBLOCK-ZINC00079563	MMs00494532 CHEMBLOCK-ZINC00079563	MMs00494531 CHEMBLOCK-ZINC00079563
MMs00494533 CHEMBLOCK-ZINC00079563