MMsINC Database Search


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MMsINC code: MMs01419571

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃

SMILES:

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

InChI:

InChI=1/C19H21FN2O3/c1-13(14-7-9-16(20)10-8-14)21-18(23)12-25-19(24)15-5-4-6-17(11-15)22(2)3/h4-11,13H,12H2,1-3H3,(H,21,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9601 kcal/mol

Physical Properties
Molecular Weight: 344.386 g/mol	logS: -4.25668	SlogP: 3.0214	Reactive groups: 0

Topological Properties
Globularity: 0.026949	Sterimol/B1: 2.18831	Sterimol/B2: 3.32018	Sterimol/B3: 5.2932
Sterimol/B4: 5.77813	Sterimol/L: 20.3813

Surface and Volume Properties
Accessible surface: 635.549	Positive charged surface: 406.854	Negative charged surface: 228.696	Volume: 333.25
Hydrophobic surface: 538.106	Hydrophilic surface: 97.443

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.