MMsINC Database Search


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MMsINC code: MMs01491705

Type: Neutral
Formula: C₁₅H₁₃FN₂O₄

SMILES:

Fc1ccc(cc1)C(OCC(=O)NC(=O)c1n(ccc1)C)=O

InChI:

InChI=1/C15H13FN2O4/c1-18-8-2-3-12(18)14(20)17-13(19)9-22-15(21)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3,(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0395 kcal/mol

Physical Properties
Molecular Weight: 304.277 g/mol	logS: -2.87952	SlogP: 1.6368	Reactive groups: 0

Topological Properties
Globularity: 0.00455291	Sterimol/B1: 2.21111	Sterimol/B2: 2.39197	Sterimol/B3: 2.4761
Sterimol/B4: 6.0134	Sterimol/L: 18.4052

Surface and Volume Properties
Accessible surface: 544.962	Positive charged surface: 306.492	Negative charged surface: 238.469	Volume: 268.375
Hydrophobic surface: 407.194	Hydrophilic surface: 137.768

Pharmacophoric Properties
Hydrogen bond donors: 1	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.