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MMsINC code: MMs03313341

Type: Neutral
Formula: C₁₅H₁₉Cl₃N₂O₃

SMILES:

ClCC(=O)NC(Cc1ccc(N(CCCl)CCCl)cc1)C(O)=O

InChI:

InChI=1/C15H19Cl3N2O3/c16-5-7-20(8-6-17)12-3-1-11(2-4-12)9-13(15(22)23)19-14(21)10-18/h1-4,13H,5-10H2,(H,19,21)(H,22,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4598 kcal/mol

Physical Properties
Molecular Weight: 381.687 g/mol	logS: -3.81157	SlogP: 2.32127	Reactive groups: 1

Topological Properties
Globularity: 0.16794	Sterimol/B1: 3.10391	Sterimol/B2: 4.53071	Sterimol/B3: 5.20938
Sterimol/B4: 6.50729	Sterimol/L: 14.3268

Surface and Volume Properties
Accessible surface: 618.232	Positive charged surface: 291.345	Negative charged surface: 326.888	Volume: 332.25
Hydrophobic surface: 273.029	Hydrophilic surface: 345.203

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs03313342
PUBCHEM-ZINC05580891