MMsINC Database Search


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MMsINC code: MMs02157767

Type: Neutral
Formula: C₂₀H₁₄Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1Oc1ccccc1C(=O)NC(=O)Nc1ccccc1

InChI:

InChI=1/C20H14Cl2N2O3/c21-13-10-11-18(16(22)12-13)27-17-9-5-4-8-15(17)19(25)24-20(26)23-14-6-2-1-3-7-14/h1-12H,(H2,23,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9061 kcal/mol

Physical Properties
Molecular Weight: 401.249 g/mol	logS: -6.83469	SlogP: 5.7476	Reactive groups: 0

Topological Properties
Globularity: 0.0353948	Sterimol/B1: 3.20718	Sterimol/B2: 3.86095	Sterimol/B3: 4.49453
Sterimol/B4: 7.70566	Sterimol/L: 19.5369

Surface and Volume Properties
Accessible surface: 638.655	Positive charged surface: 288.965	Negative charged surface: 349.69	Volume: 346.375
Hydrophobic surface: 552.499	Hydrophilic surface: 86.156

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.