MMsINC Database Search


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MMsINC code: MMs01419498

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccccc1NC(=O)C(OC(=O)c1cc(N(C)C)ccc1)C

InChI:

InChI=1/C18H19FN2O3/c1-12(17(22)20-16-10-5-4-9-15(16)19)24-18(23)13-7-6-8-14(11-13)21(2)3/h4-12H,1-3H3,(H,20,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.753 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -4.31264	SlogP: 3.0757	Reactive groups: 0

Topological Properties
Globularity: 0.0342991	Sterimol/B1: 2.13115	Sterimol/B2: 2.39061	Sterimol/B3: 5.07973
Sterimol/B4: 6.6325	Sterimol/L: 18.9859

Surface and Volume Properties
Accessible surface: 601.521	Positive charged surface: 379.804	Negative charged surface: 221.717	Volume: 312.5
Hydrophobic surface: 514.378	Hydrophilic surface: 87.143

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.