MMsINC Database Search


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MMsINC code: MMs00477817

Type: Neutral
Formula: C₁₆H₁₄Cl₄N₂O

SMILES:

Clc1c(NC(CC(=O)Nc2cccc(Cl)c2Cl)C)cccc1Cl

InChI:

InChI=1/C16H14Cl4N2O/c1-9(21-12-6-2-4-10(17)15(12)19)8-14(23)22-13-7-3-5-11(18)16(13)20/h2-7,9,21H,8H2,1H3,(H,22,23)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0628 kcal/mol

Physical Properties
Molecular Weight: 392.113 g/mol	logS: -6.32406	SlogP: 6.1294	Reactive groups: 0

Topological Properties
Globularity: 0.109695	Sterimol/B1: 2.19446	Sterimol/B2: 3.25038	Sterimol/B3: 5.39196
Sterimol/B4: 8.16158	Sterimol/L: 15.7711

Surface and Volume Properties
Accessible surface: 594.4	Positive charged surface: 236.223	Negative charged surface: 358.176	Volume: 324.625
Hydrophobic surface: 546.133	Hydrophilic surface: 48.267

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.