MMsINC Database Search


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MMsINC code: MMs00974075

Type: Neutral
Formula: C₁₉H₁₂Cl₂FN₃O

SMILES:

Clc1cc(NC2N(C(=O)c3c2cccc3)c2ncc(Cl)cc2)ccc1F

InChI:

InChI=1/C19H12Cl2FN3O/c20-11-5-8-17(23-10-11)25-18(13-3-1-2-4-14(13)19(25)26)24-12-6-7-16(22)15(21)9-12/h1-10,18,24H/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.6641 kcal/mol

Physical Properties
Molecular Weight: 388.229 g/mol	logS: -5.65949	SlogP: 5.3941	Reactive groups: 0

Topological Properties
Globularity: 0.099389	Sterimol/B1: 3.50999	Sterimol/B2: 3.52513	Sterimol/B3: 4.52982
Sterimol/B4: 8.09444	Sterimol/L: 14.0279

Surface and Volume Properties
Accessible surface: 577.046	Positive charged surface: 248.894	Negative charged surface: 328.152	Volume: 324.625
Hydrophobic surface: 512.03	Hydrophilic surface: 65.016

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.