MMsINC Database Search


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MMsINC code: MMs02710679

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1\C=N\NC(=O)COc1cc(ccc1)C

InChI:

InChI=1/C16H14Cl2N2O2/c1-11-4-2-5-12(8-11)22-10-16(21)20-19-9-13-14(17)6-3-7-15(13)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.647 kcal/mol

Physical Properties
Molecular Weight: 337.206 g/mol	logS: -5.55747	SlogP: 3.83092	Reactive groups: 0

Topological Properties
Globularity: 0.00327723	Sterimol/B1: 2.37865	Sterimol/B2: 2.51238	Sterimol/B3: 2.75748
Sterimol/B4: 6.34466	Sterimol/L: 19.2168

Surface and Volume Properties
Accessible surface: 583.109	Positive charged surface: 295.292	Negative charged surface: 287.817	Volume: 299.125
Hydrophobic surface: 501.431	Hydrophilic surface: 81.678

Pharmacophoric Properties
Hydrogen bond donors: 1	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.