MMsINC Database Search


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MMsINC code: MMs01659537

Type: Neutral
Formula: C₁₇H₁₃Cl₃N₂O₂

SMILES:

Clc1cccc(Cl)c1CN1C(=O)C(NC1=O)(C)c1ccc(Cl)cc1

InChI:

InChI=1/C17H13Cl3N2O2/c1-17(10-5-7-11(18)8-6-10)15(23)22(16(24)21-17)9-12-13(19)3-2-4-14(12)20/h2-8H,9H2,1H3,(H,21,24)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3894 kcal/mol

Physical Properties
Molecular Weight: 383.662 g/mol	logS: -6.10037	SlogP: 5.1919	Reactive groups: 0

Topological Properties
Globularity: 0.112148	Sterimol/B1: 2.0118	Sterimol/B2: 4.33932	Sterimol/B3: 4.93388
Sterimol/B4: 6.09772	Sterimol/L: 16.5478

Surface and Volume Properties
Accessible surface: 549.185	Positive charged surface: 230.75	Negative charged surface: 318.436	Volume: 316.875
Hydrophobic surface: 470.951	Hydrophilic surface: 78.234

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.