MMsINC Database Search


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MMsINC code: MMs02735108

Type: Neutral
Formula: C₂₄H₂₃FN₂O₂

SMILES:

Fc1cc(NC(=O)N(C\C(=C\c2ccccc2)\C)c2ccc(OC)cc2)ccc1

InChI:

InChI=1/C24H23FN2O2/c1-18(15-19-7-4-3-5-8-19)17-27(22-11-13-23(29-2)14-12-22)24(28)26-21-10-6-9-20(25)16-21/h3-16H,17H2,1-2H3,(H,26,28)/b18-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.636 kcal/mol

Physical Properties
Molecular Weight: 390.458 g/mol	logS: -5.78209	SlogP: 5.9763	Reactive groups: 0

Topological Properties
Globularity: 0.0982503	Sterimol/B1: 2.51104	Sterimol/B2: 3.45115	Sterimol/B3: 6.24596
Sterimol/B4: 8.55808	Sterimol/L: 16.4863

Surface and Volume Properties
Accessible surface: 648.48	Positive charged surface: 387.182	Negative charged surface: 261.299	Volume: 379.125
Hydrophobic surface: 616.085	Hydrophilic surface: 32.395

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.