MMsINC Database Search


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MMsINC code: MMs02802033

Type: Neutral
Formula: C₂₄H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)CN(C(=O)Cc1ccccc1)CC(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C24H23FN2O3/c1-30-22-13-11-21(12-14-22)26-23(28)17-27(16-19-7-9-20(25)10-8-19)24(29)15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.141 kcal/mol

Physical Properties
Molecular Weight: 406.457 g/mol	logS: -5.59618	SlogP: 4.31067	Reactive groups: 0

Topological Properties
Globularity: 0.0426365	Sterimol/B1: 2.93612	Sterimol/B2: 3.8297	Sterimol/B3: 6.9485
Sterimol/B4: 7.51861	Sterimol/L: 18.0984

Surface and Volume Properties
Accessible surface: 694.852	Positive charged surface: 416.354	Negative charged surface: 278.498	Volume: 390
Hydrophobic surface: 619.825	Hydrophilic surface: 75.027

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.