MMsINC Database Search


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MMsINC code: MMs00672162

Type: Neutral
Formula: C₁₇H₁₁Cl₂FN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccccc1Cl

InChI:

InChI=1/C17H11Cl2FN2O2/c1-9-14(17(23)21-13-8-3-2-5-10(13)18)16(22-24-9)15-11(19)6-4-7-12(15)20/h2-8H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9395 kcal/mol

Physical Properties
Molecular Weight: 365.191 g/mol	logS: -6.47335	SlogP: 5.34822	Reactive groups: 0

Topological Properties
Globularity: 0.15459	Sterimol/B1: 2.40667	Sterimol/B2: 3.86147	Sterimol/B3: 4.43257
Sterimol/B4: 9.69794	Sterimol/L: 13.0769

Surface and Volume Properties
Accessible surface: 547.509	Positive charged surface: 222.54	Negative charged surface: 324.969	Volume: 303.125
Hydrophobic surface: 505.746	Hydrophilic surface: 41.763

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.