MMsINC Database Search


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MMsINC code: MMs01308133

Type: Neutral
Formula: C₁₈H₁₉Cl₂FN₂O

SMILES:

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

InChI:

InChI=1/C18H19Cl2FN2O/c1-12-8-9-14(10-15(12)21)16(17(19)20)22-18(24)23(2)11-13-6-4-3-5-7-13/h3-10,16-17H,11H2,1-2H3,(H,22,24)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.705 kcal/mol

Physical Properties
Molecular Weight: 369.267 g/mol	logS: -4.90088	SlogP: 5.60232	Reactive groups: 0

Topological Properties
Globularity: 0.0723493	Sterimol/B1: 3.43313	Sterimol/B2: 4.17269	Sterimol/B3: 4.2224
Sterimol/B4: 6.33652	Sterimol/L: 16.9835

Surface and Volume Properties
Accessible surface: 598.222	Positive charged surface: 312.337	Negative charged surface: 285.885	Volume: 335.75
Hydrophobic surface: 462.226	Hydrophilic surface: 135.996

Pharmacophoric Properties
Hydrogen bond donors: 1	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.