MMsINC Database Search


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MMsINC code: MMs00983892

Type: Neutral
Formula: C₂₃H₂₃FN₂O₃

SMILES:

Fc1ccccc1NC(=O)Cn1c(-c2ccccc2)c(C)c(C(OCC)=O)c1C

InChI:

InChI=1/C23H23FN2O3/c1-4-29-23(28)21-15(2)22(17-10-6-5-7-11-17)26(16(21)3)14-20(27)25-19-13-9-8-12-18(19)24/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)=110.168 kcal/mol

Physical Properties
Molecular Weight: 394.446 g/mol	logS: -5.5915	SlogP: 4.99284	Reactive groups: 0

Topological Properties
Globularity: 0.13373	Sterimol/B1: 2.42499	Sterimol/B2: 2.65418	Sterimol/B3: 6.30703
Sterimol/B4: 10.2381	Sterimol/L: 16.7463

Surface and Volume Properties
Accessible surface: 679.749	Positive charged surface: 392.504	Negative charged surface: 287.245	Volume: 378.625
Hydrophobic surface: 593.84	Hydrophilic surface: 85.909

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.