MMsINC Database Search


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MMsINC code: MMs01350523

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂O₂

SMILES:

Clc1cc(Cl)cc2c1ncnc2OCc1cc(OC)ccc1

InChI:

InChI=1/C16H12Cl2N2O2/c1-21-12-4-2-3-10(5-12)8-22-16-13-6-11(17)7-14(18)15(13)19-9-20-16/h2-7,9H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2411 kcal/mol

Physical Properties
Molecular Weight: 335.19 g/mol	logS: -5.78292	SlogP: 4.7906	Reactive groups: 0

Topological Properties
Globularity: 0.0731599	Sterimol/B1: 2.39138	Sterimol/B2: 4.95984	Sterimol/B3: 5.52708
Sterimol/B4: 6.07109	Sterimol/L: 16.8685

Surface and Volume Properties
Accessible surface: 566.325	Positive charged surface: 303.955	Negative charged surface: 257.199	Volume: 289.375
Hydrophobic surface: 484.344	Hydrophilic surface: 81.981

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.