MMsINC Database Search


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MMsINC code: MMs01284490

Type: Neutral
Formula: C₁₉H₁₈ClF₂NO₃

SMILES:

Clc1cc(F)c(F)cc1C(OCC(=O)NC(CCc1ccccc1)C)=O

InChI:

InChI=1/C19H18ClF2NO3/c1-12(7-8-13-5-3-2-4-6-13)23-18(24)11-26-19(25)14-9-16(21)17(22)10-15(14)20/h2-6,9-10,12H,7-8,11H2,1H3,(H,23,24)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5375 kcal/mol

Physical Properties
Molecular Weight: 381.806 g/mol	logS: -5.62178	SlogP: 3.91247	Reactive groups: 0

Topological Properties
Globularity: 0.0498292	Sterimol/B1: 2.24318	Sterimol/B2: 2.5019	Sterimol/B3: 4.89833
Sterimol/B4: 7.83473	Sterimol/L: 20.1305

Surface and Volume Properties
Accessible surface: 644.929	Positive charged surface: 334.698	Negative charged surface: 310.231	Volume: 335.375
Hydrophobic surface: 557.597	Hydrophilic surface: 87.332

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