MMsINC Database Search


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MMsINC code: MMs00773783

Type: Neutral
Formula: C₂₃H₂₀FN₃O

SMILES:

Fc1cc(ccc1)C(Nc1nccc(c1)C)c1ccc2c(nc(cc2)C)c1O

InChI:

InChI=1/C23H20FN3O/c1-14-10-11-25-20(12-14)27-21(17-4-3-5-18(24)13-17)19-9-8-16-7-6-15(2)26-22(16)23(19)28/h3-13,21,28H,1-2H3,(H,25,27)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.237 kcal/mol

Physical Properties
Molecular Weight: 373.431 g/mol	logS: -5.07914	SlogP: 5.38834	Reactive groups: 0

Topological Properties
Globularity: 0.190775	Sterimol/B1: 2.20341	Sterimol/B2: 3.3872	Sterimol/B3: 6.83901
Sterimol/B4: 7.60048	Sterimol/L: 16.4306

Surface and Volume Properties
Accessible surface: 636.828	Positive charged surface: 382.639	Negative charged surface: 248.495	Volume: 359.75
Hydrophobic surface: 558.799	Hydrophilic surface: 78.029

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.