MMsINC Database Search


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MMsINC code: MMs01544172

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(NC(=O)C(OC(=O)c2ccc(N(C)C)cc2)C)cc1

InChI:

InChI=1/C18H19FN2O3/c1-12(17(22)20-15-8-6-14(19)7-9-15)24-18(23)13-4-10-16(11-5-13)21(2)3/h4-12H,1-3H3,(H,20,22)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.943 kcal/mol

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

Topological Properties
Globularity: 0.035479	Sterimol/B1: 2.22815	Sterimol/B2: 2.34781	Sterimol/B3: 4.89649
Sterimol/B4: 7.0194	Sterimol/L: 18.677

Surface and Volume Properties
Accessible surface: 608.329	Positive charged surface: 380.941	Negative charged surface: 227.388	Volume: 313.125
Hydrophobic surface: 519.223	Hydrophilic surface: 89.106

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.