MMsINC Database Search


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MMsINC code: MMs03744217

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(Cl)cnc1NC(=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C14H12Cl2N2O3/c1-20-11-4-3-8(5-12(11)21-2)14(19)18-13-10(16)6-9(15)7-17-13/h3-7H,1-2H3,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2128 kcal/mol

Physical Properties
Molecular Weight: 327.167 g/mol	logS: -3.97733	SlogP: 3.6579	Reactive groups: 0

Topological Properties
Globularity: 0.00656906	Sterimol/B1: 2.37324	Sterimol/B2: 2.38081	Sterimol/B3: 2.92431
Sterimol/B4: 7.52355	Sterimol/L: 17.0799

Surface and Volume Properties
Accessible surface: 547.03	Positive charged surface: 317.722	Negative charged surface: 229.308	Volume: 275.25
Hydrophobic surface: 479.289	Hydrophilic surface: 67.741

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.