MMsINC Database Search


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MMsINC code: MMs01540171

Type: Neutral
Formula: C₁₇H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)CN1C(=O)C(NC1=O)(C)c1ccccc1

InChI:

InChI=1/C17H15FN2O2/c1-17(13-5-3-2-4-6-13)15(21)20(16(22)19-17)11-12-7-9-14(18)10-8-12/h2-10H,11H2,1H3,(H,19,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9715 kcal/mol

Physical Properties
Molecular Weight: 298.317 g/mol	logS: -4.19248	SlogP: 3.3708	Reactive groups: 0

Topological Properties
Globularity: 0.217453	Sterimol/B1: 2.49268	Sterimol/B2: 3.06478	Sterimol/B3: 4.55137
Sterimol/B4: 7.33541	Sterimol/L: 11.7811

Surface and Volume Properties
Accessible surface: 507.826	Positive charged surface: 277.194	Negative charged surface: 230.631	Volume: 276.125
Hydrophobic surface: 408.373	Hydrophilic surface: 99.453

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.