MMsINC Database Search


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MMsINC code: MMs02973688

Type: Neutral
Formula: C₁₉H₁₆Cl₄N₂O₂

SMILES:

Clc1cc(ccc1Cl)C(=O)N1CCN(CC1C)C(=O)c1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C19H16Cl4N2O2/c1-11-10-24(18(26)12-2-4-14(20)16(22)8-12)6-7-25(11)19(27)13-3-5-15(21)17(23)9-13/h2-5,8-9,11H,6-7,10H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.88 kcal/mol

Physical Properties
Molecular Weight: 446.161 g/mol	logS: -6.67271	SlogP: 5.2869	Reactive groups: 0

Topological Properties
Globularity: 0.0823493	Sterimol/B1: 2.3258	Sterimol/B2: 3.96093	Sterimol/B3: 4.98989
Sterimol/B4: 5.68306	Sterimol/L: 19.2356

Surface and Volume Properties
Accessible surface: 639.576	Positive charged surface: 249.02	Negative charged surface: 390.556	Volume: 366.25
Hydrophobic surface: 562.244	Hydrophilic surface: 77.332

Pharmacophoric Properties
Hydrogen bond donors: 0	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.