MMsINC Database Search


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MMsINC code: MMs01125310

Type: Neutral
Formula: C₁₈H₁₃Cl₂FN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccc(Cl)cc1C

InChI:

InChI=1/C18H13Cl2FN2O2/c1-9-8-11(19)6-7-14(9)22-18(24)15-10(2)25-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8046 kcal/mol

Physical Properties
Molecular Weight: 379.218 g/mol	logS: -6.63382	SlogP: 5.65664	Reactive groups: 0

Topological Properties
Globularity: 0.209295	Sterimol/B1: 2.3682	Sterimol/B2: 5.72288	Sterimol/B3: 5.77744
Sterimol/B4: 6.0983	Sterimol/L: 13.7463

Surface and Volume Properties
Accessible surface: 581.1	Positive charged surface: 236.338	Negative charged surface: 344.762	Volume: 321.25
Hydrophobic surface: 541	Hydrophilic surface: 40.1

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.