MMsINC Database Search


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MMsINC code: MMs00139081

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₃

SMILES:

Clc1cccnc1NC(=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C14H13ClN2O3/c1-19-11-6-5-9(8-12(11)20-2)14(18)17-13-10(15)4-3-7-16-13/h3-8H,1-2H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0794 kcal/mol

Physical Properties
Molecular Weight: 292.722 g/mol	logS: -3.24304	SlogP: 3.0045	Reactive groups: 0

Topological Properties
Globularity: 0.00670409	Sterimol/B1: 2.37357	Sterimol/B2: 2.38146	Sterimol/B3: 2.88592
Sterimol/B4: 7.52783	Sterimol/L: 15.8706

Surface and Volume Properties
Accessible surface: 516.065	Positive charged surface: 336.618	Negative charged surface: 179.446	Volume: 259.875
Hydrophobic surface: 449.625	Hydrophilic surface: 66.44

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.