MMsINC Database Search


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MMsINC code: MMs01300678

Type: Neutral
Formula: C₂₄H₂₁Cl₂FN₂O

SMILES:

ClC(Cl)=C(NC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cc(F)c(cc1)C

InChI:

InChI=1/C24H21Cl2FN2O/c1-17-12-13-20(14-21(17)27)22(23(25)26)28-24(30)29(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9914 kcal/mol

Physical Properties
Molecular Weight: 443.349 g/mol	logS: -7.48093	SlogP: 7.29152	Reactive groups: 0

Topological Properties
Globularity: 0.16787	Sterimol/B1: 2.49394	Sterimol/B2: 5.36368	Sterimol/B3: 7.87121
Sterimol/B4: 8.40247	Sterimol/L: 15.9331

Surface and Volume Properties
Accessible surface: 688.341	Positive charged surface: 324.565	Negative charged surface: 363.776	Volume: 409.625
Hydrophobic surface: 658.894	Hydrophilic surface: 29.447

Pharmacophoric Properties
Hydrogen bond donors: 1	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.