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MMsINC code: MMs01419747

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C18H19FN2O3/c1-21(2)16-9-5-14(6-10-16)18(23)24-12-17(22)20-11-13-3-7-15(19)8-4-13/h3-10H,11-12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1367 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -3.92947	SlogP: 2.6313	Reactive groups: 0

Topological Properties
Globularity: 0.0223499	Sterimol/B1: 3.61861	Sterimol/B2: 3.62003	Sterimol/B3: 3.74569
Sterimol/B4: 4.38886	Sterimol/L: 21.1573

Surface and Volume Properties
Accessible surface: 615.341	Positive charged surface: 402.127	Negative charged surface: 213.214	Volume: 315.625
Hydrophobic surface: 520.194	Hydrophilic surface: 95.147

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.