MMsINC Database Search


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MMsINC code: MMs01544673

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccc(cc1)C1(NC(=O)N(CC(=O)c2ccccc2)C1=O)CC

InChI:

InChI=1/C19H17FN2O3/c1-2-19(14-8-10-15(20)11-9-14)17(24)22(18(25)21-19)12-16(23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,21,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8811 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.7256	SlogP: 3.1772	Reactive groups: 0

Topological Properties
Globularity: 0.0733952	Sterimol/B1: 2.52071	Sterimol/B2: 3.89588	Sterimol/B3: 4.34001
Sterimol/B4: 7.32489	Sterimol/L: 17.0657

Surface and Volume Properties
Accessible surface: 557.743	Positive charged surface: 290.722	Negative charged surface: 267.02	Volume: 311.125
Hydrophobic surface: 440.37	Hydrophilic surface: 117.373

Pharmacophoric Properties
Hydrogen bond donors: 1	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.