MMsINC Database Search


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MMsINC code: MMs01494565

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1CNC(=O)COc1ccccc1C(=O)N

InChI:

InChI=1/C16H14Cl2N2O3/c17-11-6-5-10(13(18)7-11)8-20-15(21)9-23-14-4-2-1-3-12(14)16(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8136 kcal/mol

Physical Properties
Molecular Weight: 353.205 g/mol	logS: -5.09643	SlogP: 3.0539	Reactive groups: 0

Topological Properties
Globularity: 0.0371732	Sterimol/B1: 3.14375	Sterimol/B2: 3.36346	Sterimol/B3: 4.83581
Sterimol/B4: 6.47253	Sterimol/L: 18.0643

Surface and Volume Properties
Accessible surface: 585.287	Positive charged surface: 286.725	Negative charged surface: 298.562	Volume: 301.75
Hydrophobic surface: 438.412	Hydrophilic surface: 146.875

Pharmacophoric Properties
Hydrogen bond donors: 2	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.