MMsINC Database Search


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MMsINC code: MMs01565506

Type: Neutral
Formula: C₁₉H₁₉FN₂O₄

SMILES:

Fc1ccc(cc1)CCNC(=O)COC(=O)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C19H19FN2O4/c1-13(23)22-17-4-2-3-15(11-17)19(25)26-12-18(24)21-10-9-14-5-7-16(20)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1664 kcal/mol

Physical Properties
Molecular Weight: 358.369 g/mol	logS: -4.27298	SlogP: 2.29977	Reactive groups: 0

Topological Properties
Globularity: 0.0205945	Sterimol/B1: 2.46427	Sterimol/B2: 3.62231	Sterimol/B3: 3.75567
Sterimol/B4: 6.69342	Sterimol/L: 22.392

Surface and Volume Properties
Accessible surface: 658.539	Positive charged surface: 386.394	Negative charged surface: 272.144	Volume: 333.125
Hydrophobic surface: 514.764	Hydrophilic surface: 143.775

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.