MMsINC Database Search


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MMsINC code: MMs00983961

Type: Neutral
Formula: C₂₃H₂₃FN₂O₃

SMILES:

Fc1cc(NC(=O)Cn2c(cc(C(OCC)=O)c2C)-c2ccc(cc2)C)ccc1

InChI:

InChI=1/C23H23FN2O3/c1-4-29-23(28)20-13-21(17-10-8-15(2)9-11-17)26(16(20)3)14-22(27)25-19-7-5-6-18(24)12-19/h5-13H,4,14H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.198 kcal/mol

Physical Properties
Molecular Weight: 394.446 g/mol	logS: -5.90495	SlogP: 4.99284	Reactive groups: 0

Topological Properties
Globularity: 0.0912374	Sterimol/B1: 2.46723	Sterimol/B2: 4.94077	Sterimol/B3: 5.5921
Sterimol/B4: 8.96567	Sterimol/L: 18.378

Surface and Volume Properties
Accessible surface: 694.246	Positive charged surface: 411.716	Negative charged surface: 282.53	Volume: 382
Hydrophobic surface: 599.267	Hydrophilic surface: 94.979

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.