MMsINC Database Search


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MMsINC code: MMs03432682

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂

SMILES:

Clc1cc(ccc1Cl)Cc1nc2c(n1C)cc1c(c2)cccc1

InChI:

InChI=1/C19H14Cl2N2/c1-23-18-11-14-5-3-2-4-13(14)10-17(18)22-19(23)9-12-6-7-15(20)16(21)8-12/h2-8,10-11H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6467 kcal/mol

Physical Properties
Molecular Weight: 341.241 g/mol	logS: -6.6798	SlogP: 5.98327	Reactive groups: 0

Topological Properties
Globularity: 0.0956948	Sterimol/B1: 2.19321	Sterimol/B2: 3.40607	Sterimol/B3: 5.53968
Sterimol/B4: 6.78865	Sterimol/L: 16.0612

Surface and Volume Properties
Accessible surface: 558.137	Positive charged surface: 264.582	Negative charged surface: 281.925	Volume: 310.75
Hydrophobic surface: 538.054	Hydrophilic surface: 20.083

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.