MMsINC Database Search


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MMsINC code: MMs01205585

Type: Neutral
Formula: C₂₄H₂₅FN₂O

SMILES:

Fc1ccc(NC(=O)c2n(c3c(CCCC3)c2C)Cc2ccc(cc2)C)cc1

InChI:

InChI=1/C24H25FN2O/c1-16-7-9-18(10-8-16)15-27-22-6-4-3-5-21(22)17(2)23(27)24(28)26-20-13-11-19(25)12-14-20/h7-14H,3-6,15H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.94 kcal/mol

Physical Properties
Molecular Weight: 376.475 g/mol	logS: -5.6311	SlogP: 5.68978	Reactive groups: 0

Topological Properties
Globularity: 0.134808	Sterimol/B1: 2.34609	Sterimol/B2: 2.5543	Sterimol/B3: 5.45975
Sterimol/B4: 10.622	Sterimol/L: 16.3123

Surface and Volume Properties
Accessible surface: 628.941	Positive charged surface: 387.541	Negative charged surface: 241.401	Volume: 373
Hydrophobic surface: 591.403	Hydrophilic surface: 37.538

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.