MMsINC Database Search


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MMsINC code: MMs01278166

Type: Neutral
Formula: C₁₉H₁₅ClFN₃O₃

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C19H15ClFN3O3/c1-10-16(18(24-27-10)17-14(20)4-3-5-15(17)21)19(26)23-13-8-6-12(7-9-13)22-11(2)25/h3-9H,1-2H3,(H,22,25)(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5911 kcal/mol

Physical Properties
Molecular Weight: 387.798 g/mol	logS: -5.94851	SlogP: 4.65322	Reactive groups: 0

Topological Properties
Globularity: 0.0762354	Sterimol/B1: 2.18935	Sterimol/B2: 3.95563	Sterimol/B3: 4.04725
Sterimol/B4: 10.347	Sterimol/L: 16.3462

Surface and Volume Properties
Accessible surface: 623.099	Positive charged surface: 304.04	Negative charged surface: 319.06	Volume: 334.125
Hydrophobic surface: 522.897	Hydrophilic surface: 100.202

Pharmacophoric Properties
Hydrogen bond donors: 2	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.