MMsINC Database Search


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MMsINC code: MMs01170781

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccc(-n2nc(cc2C(=O)NCCc2ccccc2)-c2ccccc2)cc1

InChI:

InChI=1/C24H20FN3O/c25-20-11-13-21(14-12-20)28-23(17-22(27-28)19-9-5-2-6-10-19)24(29)26-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.587 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -6.35737	SlogP: 4.65087	Reactive groups: 0

Topological Properties
Globularity: 0.0402444	Sterimol/B1: 3.61343	Sterimol/B2: 3.66379	Sterimol/B3: 5.73355
Sterimol/B4: 8.95218	Sterimol/L: 19.2098

Surface and Volume Properties
Accessible surface: 686.378	Positive charged surface: 364.743	Negative charged surface: 321.636	Volume: 378.125
Hydrophobic surface: 636.1	Hydrophilic surface: 50.278

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.