MMsINC Database Search


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MMsINC code: MMs02166717

Type: Neutral
Formula: C₂₄H₂₈FN₃O

SMILES:

Fc1ccc(NC(=O)c2n(nc(c2)C(C)(C)C)Cc2c(cc(cc2C)C)C)cc1

InChI:

InChI=1/C24H28FN3O/c1-15-11-16(2)20(17(3)12-15)14-28-21(13-22(27-28)24(4,5)6)23(29)26-19-9-7-18(25)8-10-19/h7-13H,14H2,1-6H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.103 kcal/mol

Physical Properties
Molecular Weight: 393.506 g/mol	logS: -6.24118	SlogP: 5.81196	Reactive groups: 0

Topological Properties
Globularity: 0.14702	Sterimol/B1: 2.56318	Sterimol/B2: 4.64681	Sterimol/B3: 4.82989
Sterimol/B4: 10.4095	Sterimol/L: 16.8142

Surface and Volume Properties
Accessible surface: 680.47	Positive charged surface: 395.802	Negative charged surface: 284.668	Volume: 399.625
Hydrophobic surface: 592.123	Hydrophilic surface: 88.347

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.