MMsINC Database Search


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MMsINC code: MMs01301186

Type: Neutral
Formula: C₁₆H₂₂Cl₃FN₂O

SMILES:

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

InChI:

InChI=1/C16H22Cl3FN2O/c1-4-8-22(9-5-2)15(23)21-14(16(17,18)19)12-7-6-11(3)13(20)10-12/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,21,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0504 kcal/mol

Physical Properties
Molecular Weight: 383.722 g/mol	logS: -5.18741	SlogP: 5.89242	Reactive groups: 0

Topological Properties
Globularity: 0.133986	Sterimol/B1: 2.54246	Sterimol/B2: 2.7808	Sterimol/B3: 6.57838
Sterimol/B4: 7.66995	Sterimol/L: 15.8751

Surface and Volume Properties
Accessible surface: 602.433	Positive charged surface: 312.9	Negative charged surface: 289.534	Volume: 342.125
Hydrophobic surface: 409.361	Hydrophilic surface: 193.072

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.