MMsINC Database Search


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MMsINC code: MMs02727084

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₄

SMILES:

Clc1ccc(Cl)cc1NC(=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)19-12-6-9(17)4-5-11(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)=114.593 kcal/mol

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

Topological Properties
Globularity: 0.0239734	Sterimol/B1: 2.48055	Sterimol/B2: 2.8734	Sterimol/B3: 3.53587
Sterimol/B4: 9.70348	Sterimol/L: 16.3894

Surface and Volume Properties
Accessible surface: 574.308	Positive charged surface: 353.324	Negative charged surface: 220.984	Volume: 304.5
Hydrophobic surface: 526.386	Hydrophilic surface: 47.922

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.