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MMsINC code: MMs03787030

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂

SMILES:

Clc1ccc(cc1)C(N)C(N)c1ccc(Cl)cc1

InChI:

InChI=1/C14H14Cl2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6645 kcal/mol

Physical Properties
Molecular Weight: 281.186 g/mol	logS: -3.97764	SlogP: 3.8842	Reactive groups: 0

Topological Properties
Globularity: 0.0673325	Sterimol/B1: 2.42007	Sterimol/B2: 3.14574	Sterimol/B3: 3.94694
Sterimol/B4: 4.80383	Sterimol/L: 16.6663

Surface and Volume Properties
Accessible surface: 487.763	Positive charged surface: 213.315	Negative charged surface: 274.448	Volume: 255.625
Hydrophobic surface: 411.744	Hydrophilic surface: 76.019

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

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

MMs03787031
PUBCHEM-ZINC06536073