MMsINC Database Search


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MMsINC code: MMs01158673

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccccc1-c1nn(c(c1)C(=O)Nc1ccc(cc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C24H20FN3O/c1-16-7-11-18(12-8-16)26-24(29)23-15-22(20-5-3-4-6-21(20)25)27-28(23)19-13-9-17(2)10-14-19/h3-15H,1-2H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.197 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -7.2997	SlogP: 5.54754	Reactive groups: 0

Topological Properties
Globularity: 0.0298982	Sterimol/B1: 2.94343	Sterimol/B2: 3.24728	Sterimol/B3: 3.74209
Sterimol/B4: 10.4118	Sterimol/L: 18.0511

Surface and Volume Properties
Accessible surface: 676.808	Positive charged surface: 372.008	Negative charged surface: 304.801	Volume: 372.75
Hydrophobic surface: 628.981	Hydrophilic surface: 47.827

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.