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MMsINC code: MMs02998209

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O

SMILES:

Clc1cc(Cl)cc(\C=N\CCc2c3c([nH]c2)cccc3)c1O

InChI:

InChI=1/C17H14Cl2N2O/c18-13-7-12(17(22)15(19)8-13)9-20-6-5-11-10-21-16-4-2-1-3-14(11)16/h1-4,7-10,21-22H,5-6H2/b20-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3896 kcal/mol

Physical Properties
Molecular Weight: 333.218 g/mol	logS: -4.71166	SlogP: 4.84187	Reactive groups: 0

Topological Properties
Globularity: 0.0211864	Sterimol/B1: 2.29106	Sterimol/B2: 2.80956	Sterimol/B3: 3.51172
Sterimol/B4: 6.92738	Sterimol/L: 16.7926

Surface and Volume Properties
Accessible surface: 572.616	Positive charged surface: 283.336	Negative charged surface: 284.561	Volume: 300.875
Hydrophobic surface: 479.561	Hydrophilic surface: 93.055

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.