MMsINC Database Search


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MMsINC code: MMs01277686

Type: Neutral
Formula: C₁₈H₁₄F₃N₃O

SMILES:

Fc1c(F)c(F)ccc1NC(=O)c1ccc(-n2nc(cc2C)C)cc1

InChI:

InChI=1/C18H14F3N3O/c1-10-9-11(2)24(23-10)13-5-3-12(4-6-13)18(25)22-15-8-7-14(19)16(20)17(15)21/h3-9H,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.457 kcal/mol

Physical Properties
Molecular Weight: 345.324 g/mol	logS: -5.0205	SlogP: 4.15874	Reactive groups: 0

Topological Properties
Globularity: 0.0307328	Sterimol/B1: 2.18649	Sterimol/B2: 2.37868	Sterimol/B3: 4.22508
Sterimol/B4: 6.27598	Sterimol/L: 18.8658

Surface and Volume Properties
Accessible surface: 571.878	Positive charged surface: 285.423	Negative charged surface: 286.455	Volume: 300.75
Hydrophobic surface: 521.667	Hydrophilic surface: 50.211

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.