MMsINC Database Search


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MMsINC code: MMs01081073

Type: Neutral
Formula: C₁₉H₁₅ClF₂N₂O

SMILES:

Clc1cc(F)c(F)cc1NC(=O)NC(C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H15ClF2N2O/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-19(25)24-18-10-17(22)16(21)9-15(18)20/h2-11H,1H3,(H2,23,24,25)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3625 kcal/mol

Physical Properties
Molecular Weight: 360.791 g/mol	logS: -6.72543	SlogP: 5.7496	Reactive groups: 0

Topological Properties
Globularity: 0.0656696	Sterimol/B1: 1.969	Sterimol/B2: 4.85042	Sterimol/B3: 5.04705
Sterimol/B4: 5.39854	Sterimol/L: 16.8079

Surface and Volume Properties
Accessible surface: 580.643	Positive charged surface: 262.395	Negative charged surface: 307.672	Volume: 314.125
Hydrophobic surface: 520.314	Hydrophilic surface: 60.329

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.