MMsINC Database Search


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MMsINC code: MMs00975520

Type: Neutral
Formula: C₂₄H₁₈FN₃O

SMILES:

Fc1cc(-n2nc(c3c2c2cc(OCC)ccc2nc3)-c2ccccc2)ccc1

InChI:

InChI=1/C24H18FN3O/c1-2-29-19-11-12-22-20(14-19)24-21(15-26-22)23(16-7-4-3-5-8-16)27-28(24)18-10-6-9-17(25)13-18/h3-15H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.466 kcal/mol

Physical Properties
Molecular Weight: 383.426 g/mol	logS: -7.04176	SlogP: 5.7785	Reactive groups: 0

Topological Properties
Globularity: 0.0316253	Sterimol/B1: 2.78724	Sterimol/B2: 3.58233	Sterimol/B3: 5.10039
Sterimol/B4: 7.38894	Sterimol/L: 18.589

Surface and Volume Properties
Accessible surface: 639.724	Positive charged surface: 366.722	Negative charged surface: 263.445	Volume: 363.875
Hydrophobic surface: 574.451	Hydrophilic surface: 65.273

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.