MMsINC Database Search


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MMsINC code: MMs00523653

Type: Neutral
Formula: C₁₈H₁₅F₂N₃O

SMILES:

Fc1cc(ccc1)C(=O)Nc1n(nc(c1)C)Cc1ccc(F)cc1

InChI:

InChI=1/C18H15F2N3O/c1-12-9-17(21-18(24)14-3-2-4-16(20)10-14)23(22-12)11-13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4455 kcal/mol

Physical Properties
Molecular Weight: 327.334 g/mol	logS: -4.66743	SlogP: 4.03672	Reactive groups: 0

Topological Properties
Globularity: 0.0853624	Sterimol/B1: 2.24039	Sterimol/B2: 3.15924	Sterimol/B3: 4.27571
Sterimol/B4: 9.94276	Sterimol/L: 14.4703

Surface and Volume Properties
Accessible surface: 562.764	Positive charged surface: 283.622	Negative charged surface: 279.142	Volume: 299
Hydrophobic surface: 511.39	Hydrophilic surface: 51.374

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.