MMsINC Database Search


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MMsINC code: MMs02095884

Type: Neutral
Formula: C₁₅H₁₀F₂N₄O

SMILES:

Fc1cc(F)ccc1NC(=O)c1ccc(nc1)-n1ccnc1

InChI:

InChI=1/C15H10F2N4O/c16-11-2-3-13(12(17)7-11)20-15(22)10-1-4-14(19-8-10)21-6-5-18-9-21/h1-9H,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1443 kcal/mol

Physical Properties
Molecular Weight: 300.268 g/mol	logS: -3.32004	SlogP: 2.7978	Reactive groups: 0

Topological Properties
Globularity: 0.00666613	Sterimol/B1: 2.097	Sterimol/B2: 2.89698	Sterimol/B3: 2.98815
Sterimol/B4: 5.09962	Sterimol/L: 17.5589

Surface and Volume Properties
Accessible surface: 504.209	Positive charged surface: 290.09	Negative charged surface: 214.119	Volume: 258.5
Hydrophobic surface: 410.922	Hydrophilic surface: 93.287

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

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Ions/Tautomers related molecules: no related molecules available.