MMsINC Database Search


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MMsINC code: MMs02319155

Type: Neutral
Formula: C₁₈H₁₈Cl₄N₂O

SMILES:

Clc1cc(\N=C\c2cc(OC)c(N(CCCl)CCCl)cc2)cc(Cl)c1

InChI:

InChI=1/C18H18Cl4N2O/c1-25-18-8-13(2-3-17(18)24(6-4-19)7-5-20)12-23-16-10-14(21)9-15(22)11-16/h2-3,8-12H,4-7H2,1H3/b23-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.59 kcal/mol

Physical Properties
Molecular Weight: 420.167 g/mol	logS: -6.28655	SlogP: 6.0366	Reactive groups: 1

Topological Properties
Globularity: 0.121637	Sterimol/B1: 2.18979	Sterimol/B2: 4.02652	Sterimol/B3: 7.30651
Sterimol/B4: 7.76059	Sterimol/L: 16.1668

Surface and Volume Properties
Accessible surface: 677.64	Positive charged surface: 312.048	Negative charged surface: 365.592	Volume: 364.75
Hydrophobic surface: 508.216	Hydrophilic surface: 169.424

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.