MMsINC Database Search


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MMsINC code: MMs01328919

Type: Neutral
Formula: C₁₆H₁₃FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1ccc(NC(=O)N)cc1

InChI:

InChI=1/C16H13FN2O4/c17-12-5-1-10(2-6-12)14(20)9-23-15(21)11-3-7-13(8-4-11)19-16(18)22/h1-8H,9H2,(H3,18,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6839 kcal/mol

Physical Properties
Molecular Weight: 316.288 g/mol	logS: -4.31014	SlogP: 2.356	Reactive groups: 0

Topological Properties
Globularity: 0.00475994	Sterimol/B1: 2.23763	Sterimol/B2: 2.53819	Sterimol/B3: 2.97864
Sterimol/B4: 5.42054	Sterimol/L: 19.9405

Surface and Volume Properties
Accessible surface: 558.342	Positive charged surface: 301.965	Negative charged surface: 256.377	Volume: 278
Hydrophobic surface: 358.629	Hydrophilic surface: 199.713

Pharmacophoric Properties
Hydrogen bond donors: 2	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.