MMsINC Database Search


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MMsINC code: MMs01402923

Type: Neutral
Formula: C₁₇H₁₃Cl₂F₃N₂O₂

SMILES:

Clc1ccccc1C(=O)NCCC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1

InChI:

InChI=1/C17H13Cl2F3N2O2/c18-13-4-2-1-3-11(13)16(26)23-8-7-15(25)24-10-5-6-14(19)12(9-10)17(20,21)22/h1-6,9H,7-8H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5878 kcal/mol

Physical Properties
Molecular Weight: 405.203 g/mol	logS: -5.93449	SlogP: 5.0823	Reactive groups: 0

Topological Properties
Globularity: 0.0143876	Sterimol/B1: 2.52023	Sterimol/B2: 2.56957	Sterimol/B3: 3.6456
Sterimol/B4: 6.37715	Sterimol/L: 19.781

Surface and Volume Properties
Accessible surface: 613.626	Positive charged surface: 254.491	Negative charged surface: 359.135	Volume: 321
Hydrophobic surface: 445.781	Hydrophilic surface: 167.845

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.