MMsINC Database Search


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MMsINC code: MMs01447925

Type: Neutral
Formula: C₁₉H₁₉FN₂O₄

SMILES:

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

InChI:

InChI=1/C19H19FN2O4/c1-12(14-6-8-16(20)9-7-14)21-18(24)11-26-19(25)15-4-3-5-17(10-15)22-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3998 kcal/mol

Physical Properties
Molecular Weight: 358.369 g/mol	logS: -4.53872	SlogP: 2.9138	Reactive groups: 0

Topological Properties
Globularity: 0.027467	Sterimol/B1: 2.13573	Sterimol/B2: 3.91203	Sterimol/B3: 5.25787
Sterimol/B4: 5.79749	Sterimol/L: 20.6436

Surface and Volume Properties
Accessible surface: 643.928	Positive charged surface: 365.897	Negative charged surface: 278.031	Volume: 330.875
Hydrophobic surface: 496.232	Hydrophilic surface: 147.696

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.