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MMsINC code: MMs00632588

Type: Neutral
Formula: C₁₄H₁₁Cl₂N₂+

SMILES:

Clc1cc(Cl)ccc1Cn1c2c([nH+]c1)cccc2

InChI:

InChI=1/C14H10Cl2N2/c15-11-6-5-10(12(16)7-11)8-18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.486 kcal/mol

Physical Properties
Molecular Weight: 278.162 g/mol	logS: -4.91068	SlogP: 4.0769	Reactive groups: 0

Topological Properties
Globularity: 0.130603	Sterimol/B1: 3.4228	Sterimol/B2: 3.44674	Sterimol/B3: 4.20209
Sterimol/B4: 5.23914	Sterimol/L: 13.8279

Surface and Volume Properties
Accessible surface: 468.202	Positive charged surface: 229.402	Negative charged surface: 238.8	Volume: 250
Hydrophobic surface: 396.744	Hydrophilic surface: 71.458

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

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

MMs00632589
CHEMBRIDGE-ZINC00572677