MMsINC Database Search


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MMsINC code: MMs00975718

Type: Neutral
Formula: C₂₄H₁₈FN₃O₂

SMILES:

Fc1cc2c3n(nc(c3cnc2cc1)-c1cc(OC)c(OC)cc1)-c1ccccc1

InChI:

InChI=1/C24H18FN3O2/c1-29-21-11-8-15(12-22(21)30-2)23-19-14-26-20-10-9-16(25)13-18(20)24(19)28(27-23)17-6-4-3-5-7-17/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.475 kcal/mol

Physical Properties
Molecular Weight: 399.425 g/mol	logS: -6.76493	SlogP: 5.397	Reactive groups: 0

Topological Properties
Globularity: 0.0446334	Sterimol/B1: 2.87243	Sterimol/B2: 4.24277	Sterimol/B3: 4.87802
Sterimol/B4: 7.43675	Sterimol/L: 17.1793

Surface and Volume Properties
Accessible surface: 642.898	Positive charged surface: 405.045	Negative charged surface: 229.059	Volume: 371
Hydrophobic surface: 590.887	Hydrophilic surface: 52.011

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.