MMsINC Database Search


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MMsINC code: MMs00157537

Type: Neutral
Formula: C₁₉H₁₄ClF₂N₃O

SMILES:

Clc1cc(F)c(F)cc1NC(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C19H14ClF2N3O/c20-15-10-16(21)17(22)11-18(15)25-19(26)24-14-3-1-12(2-4-14)9-13-5-7-23-8-6-13/h1-8,10-11H,9H2,(H2,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3392 kcal/mol

Physical Properties
Molecular Weight: 373.79 g/mol	logS: -5.43454	SlogP: 5.24797	Reactive groups: 0

Topological Properties
Globularity: 0.0600044	Sterimol/B1: 2.94379	Sterimol/B2: 3.37541	Sterimol/B3: 4.59589
Sterimol/B4: 5.15012	Sterimol/L: 18.1372

Surface and Volume Properties
Accessible surface: 607.313	Positive charged surface: 330.816	Negative charged surface: 276.497	Volume: 325.25
Hydrophobic surface: 538.424	Hydrophilic surface: 68.889

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.