MMsINC Database Search


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MMsINC code: MMs00061505

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₄

SMILES:

Clc1ccc(nc1)NC(=O)c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C15H15ClN2O4/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)18-13-5-4-10(16)8-17-13/h4-8H,1-3H3,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3404 kcal/mol

Physical Properties
Molecular Weight: 322.748 g/mol	logS: -3.29342	SlogP: 3.0131	Reactive groups: 0

Topological Properties
Globularity: 0.021485	Sterimol/B1: 2.18922	Sterimol/B2: 2.46863	Sterimol/B3: 3.16945
Sterimol/B4: 9.47085	Sterimol/L: 17.3082

Surface and Volume Properties
Accessible surface: 560.375	Positive charged surface: 391.312	Negative charged surface: 169.063	Volume: 284.5
Hydrophobic surface: 485.925	Hydrophilic surface: 74.45

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.