MMsINC Database Search


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MMsINC code: MMs00506709

Type: Neutral
Formula: C₂₀H₁₅ClF₂N₂O

SMILES:

Clc1cc(F)c(F)cc1NC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H15ClF2N2O/c21-15-11-16(22)17(23)12-18(15)24-20(26)25-19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H,(H2,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3351 kcal/mol

Physical Properties
Molecular Weight: 372.802 g/mol	logS: -6.28824	SlogP: 5.6248	Reactive groups: 0

Topological Properties
Globularity: 0.161041	Sterimol/B1: 2.51574	Sterimol/B2: 4.44711	Sterimol/B3: 4.74082
Sterimol/B4: 8.43708	Sterimol/L: 16.0559

Surface and Volume Properties
Accessible surface: 605.892	Positive charged surface: 272.538	Negative charged surface: 333.354	Volume: 329.5
Hydrophobic surface: 566.851	Hydrophilic surface: 39.041

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