MMsINC Database Search


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MMsINC code: MMs00671246

Type: Neutral
Formula: C₂₂H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(ccc1)-c1oc2c(n1)cc(cc2C)C

InChI:

InChI=1/C22H17FN2O2/c1-13-10-14(2)20-19(11-13)25-22(27-20)16-4-3-5-18(12-16)24-21(26)15-6-8-17(23)9-7-15/h3-12H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0875 kcal/mol

Physical Properties
Molecular Weight: 360.388 g/mol	logS: -7.59991	SlogP: 5.50304	Reactive groups: 0

Topological Properties
Globularity: 0.0131543	Sterimol/B1: 2.16931	Sterimol/B2: 2.53988	Sterimol/B3: 3.12458
Sterimol/B4: 9.8228	Sterimol/L: 18.1563

Surface and Volume Properties
Accessible surface: 637.365	Positive charged surface: 350.431	Negative charged surface: 286.934	Volume: 339.5
Hydrophobic surface: 566.723	Hydrophilic surface: 70.642

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.