MMsINC Database Search


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MMsINC code: MMs01548024

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃

SMILES:

Fc1ccc(NC(=O)C(OC(=O)c2n(ccc2)C)C)cc1

InChI:

InChI=1/C15H15FN2O3/c1-10(21-15(20)13-4-3-9-18(13)2)14(19)17-12-7-5-11(16)6-8-12/h3-10H,1-2H3,(H,17,19)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4307 kcal/mol

Physical Properties
Molecular Weight: 290.294 g/mol	logS: -2.87538	SlogP: 2.7074	Reactive groups: 0

Topological Properties
Globularity: 0.0444063	Sterimol/B1: 2.12119	Sterimol/B2: 2.51814	Sterimol/B3: 3.99255
Sterimol/B4: 6.80429	Sterimol/L: 16.6744

Surface and Volume Properties
Accessible surface: 528.784	Positive charged surface: 300.042	Negative charged surface: 228.742	Volume: 266.75
Hydrophobic surface: 417.237	Hydrophilic surface: 111.547

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.