MMsINC Database Search


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MMsINC code: MMs00726091

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₄

SMILES:

Clc1cc(Cl)ccc1NC(=O)c1cc(OC)c(OC)cc1OC

InChI:

InChI=1/C16H15Cl2NO4/c1-21-13-8-15(23-3)14(22-2)7-10(13)16(20)19-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.593 kcal/mol

Physical Properties
Molecular Weight: 356.205 g/mol	logS: -4.97459	SlogP: 4.2715	Reactive groups: 0

Topological Properties
Globularity: 0.022688	Sterimol/B1: 2.42482	Sterimol/B2: 2.48272	Sterimol/B3: 3.50568
Sterimol/B4: 9.70703	Sterimol/L: 17.5781

Surface and Volume Properties
Accessible surface: 585.112	Positive charged surface: 360.98	Negative charged surface: 224.132	Volume: 306.625
Hydrophobic surface: 534.667	Hydrophilic surface: 50.445

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.