MMsINC Database Search


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MMsINC code: MMs01210180

Type: Neutral
Formula: C₂₃H₂₄F₂N₂O

SMILES:

Fc1cc(ccc1F)Cn1c(C(=O)Nc2ccc(cc2)C(C)C)c(cc1C)C

InChI:

InChI=1/C23H24F2N2O/c1-14(2)18-6-8-19(9-7-18)26-23(28)22-15(3)11-16(4)27(22)13-17-5-10-20(24)21(25)12-17/h5-12,14H,13H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7034 kcal/mol

Physical Properties
Molecular Weight: 382.454 g/mol	logS: -6.1811	SlogP: 6.07354	Reactive groups: 0

Topological Properties
Globularity: 0.0783662	Sterimol/B1: 2.23184	Sterimol/B2: 2.30523	Sterimol/B3: 5.4571
Sterimol/B4: 9.878	Sterimol/L: 16.3055

Surface and Volume Properties
Accessible surface: 650.278	Positive charged surface: 370.134	Negative charged surface: 280.144	Volume: 375.75
Hydrophobic surface: 569.235	Hydrophilic surface: 81.043

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