MMsINC Database Search


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MMsINC code: MMs01305752

Type: Neutral
Formula: C₁₅H₁₉Cl₂FN₂O

SMILES:

ClC(Cl)C(NC(=O)N1CCCCC1)c1cc(F)c(cc1)C

InChI:

InChI=1/C15H19Cl2FN2O/c1-10-5-6-11(9-12(10)18)13(14(16)17)19-15(21)20-7-3-2-4-8-20/h5-6,9,13-14H,2-4,7-8H2,1H3,(H,19,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.693 kcal/mol

Physical Properties
Molecular Weight: 333.234 g/mol	logS: -3.88713	SlogP: 4.68982	Reactive groups: 0

Topological Properties
Globularity: 0.0833278	Sterimol/B1: 2.61579	Sterimol/B2: 3.10249	Sterimol/B3: 5.00864
Sterimol/B4: 7.4113	Sterimol/L: 15.1502

Surface and Volume Properties
Accessible surface: 542.635	Positive charged surface: 306.123	Negative charged surface: 236.512	Volume: 296.25
Hydrophobic surface: 409.879	Hydrophilic surface: 132.756

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.