MMsINC Database Search


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MMsINC code: MMs01208576

Type: Neutral
Formula: C₂₄H₂₇FN₂O

SMILES:

Fc1cc(ccc1)Cn1c(C(=O)N(Cc2ccccc2)C)c(C)c(CC)c1C

InChI:

InChI=1/C24H27FN2O/c1-5-22-17(2)23(24(28)26(4)15-19-10-7-6-8-11-19)27(18(22)3)16-20-12-9-13-21(25)14-20/h6-14H,5,15-16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4104 kcal/mol

Physical Properties
Molecular Weight: 378.491 g/mol	logS: -4.8955	SlogP: 5.65971	Reactive groups: 0

Topological Properties
Globularity: 0.169978	Sterimol/B1: 3.38387	Sterimol/B2: 3.45123	Sterimol/B3: 4.9796
Sterimol/B4: 8.72933	Sterimol/L: 15.5619

Surface and Volume Properties
Accessible surface: 618.734	Positive charged surface: 389.729	Negative charged surface: 229.005	Volume: 390
Hydrophobic surface: 565.842	Hydrophilic surface: 52.892

Pharmacophoric Properties
Hydrogen bond donors: 0	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.