MMsINC Database Search


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MMsINC code: MMs01373048

Type: Neutral
Formula: C₁₅H₁₂Cl₂F₃N₃O

SMILES:

Clc1cccc(Cl)c1NC(=O)CN(C)c1ncc(cc1)C(F)(F)F

InChI:

InChI=1/C15H12Cl2F3N3O/c1-23(12-6-5-9(7-21-12)15(18,19)20)8-13(24)22-14-10(16)3-2-4-11(14)17/h2-7H,8H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.102 kcal/mol

Physical Properties
Molecular Weight: 378.181 g/mol	logS: -4.88697	SlogP: 4.7936	Reactive groups: 0

Topological Properties
Globularity: 0.0706456	Sterimol/B1: 2.24903	Sterimol/B2: 2.57619	Sterimol/B3: 3.99154
Sterimol/B4: 7.82447	Sterimol/L: 15.3549

Surface and Volume Properties
Accessible surface: 557.056	Positive charged surface: 249.589	Negative charged surface: 307.467	Volume: 298.875
Hydrophobic surface: 408.648	Hydrophilic surface: 148.408

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.