MMsINC Database Search


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MMsINC code: MMs01036170

Type: Neutral
Formula: C₂₃H₂₄FN₃O₂

SMILES:

Fc1ccc(cc1)C1=NC2(N(CC(=O)Nc3ccccc3C)C1=O)CCCCC2

InChI:

InChI=1/C23H24FN3O2/c1-16-7-3-4-8-19(16)25-20(28)15-27-22(29)21(17-9-11-18(24)12-10-17)26-23(27)13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0876 kcal/mol

Physical Properties
Molecular Weight: 393.462 g/mol	logS: -5.97896	SlogP: 4.06452	Reactive groups: 0

Topological Properties
Globularity: 0.108194	Sterimol/B1: 2.84618	Sterimol/B2: 5.35082	Sterimol/B3: 5.72434
Sterimol/B4: 6.31724	Sterimol/L: 17.4661

Surface and Volume Properties
Accessible surface: 656.123	Positive charged surface: 399.991	Negative charged surface: 256.131	Volume: 376.25
Hydrophobic surface: 602.761	Hydrophilic surface: 53.362

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.