MMsINC Database Search


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MMsINC code: MMs01584420

Type: Neutral
Formula: C₁₈H₁₇FN₂O₅

SMILES:

Fc1ccc(NC(=O)CN(C(=O)COC(=O)c2ccccc2O)C)cc1

InChI:

InChI=1/C18H17FN2O5/c1-21(10-16(23)20-13-8-6-12(19)7-9-13)17(24)11-26-18(25)14-4-2-3-5-15(14)22/h2-9,22H,10-11H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.178 kcal/mol

Physical Properties
Molecular Weight: 360.341 g/mol	logS: -3.76265	SlogP: 1.7852	Reactive groups: 0

Topological Properties
Globularity: 0.0501807	Sterimol/B1: 2.41409	Sterimol/B2: 2.93501	Sterimol/B3: 4.27402
Sterimol/B4: 7.63328	Sterimol/L: 19.2323

Surface and Volume Properties
Accessible surface: 622.734	Positive charged surface: 379.072	Negative charged surface: 243.662	Volume: 319.875
Hydrophobic surface: 476.458	Hydrophilic surface: 146.276

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.