MMsINC Database Search


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MMsINC code: MMs00334148

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₄

SMILES:

Clc1cccc(NC(=O)c2ccc(OC)cc2OC)c1N1CCOCC1

InChI:

InChI=1/C19H21ClN2O4/c1-24-13-6-7-14(17(12-13)25-2)19(23)21-16-5-3-4-15(20)18(16)22-8-10-26-11-9-22/h3-7,12H,8-11H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=209.3 kcal/mol

Physical Properties
Molecular Weight: 376.84 g/mol	logS: -4.40881	SlogP: 3.4461	Reactive groups: 0

Topological Properties
Globularity: 0.0726513	Sterimol/B1: 2.00839	Sterimol/B2: 2.901	Sterimol/B3: 4.70597
Sterimol/B4: 8.9535	Sterimol/L: 15.4478

Surface and Volume Properties
Accessible surface: 612.26	Positive charged surface: 439.253	Negative charged surface: 173.007	Volume: 341.875
Hydrophobic surface: 549.302	Hydrophilic surface: 62.958

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.