MMsINC Database Search


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MMsINC code: MMs00124472

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₃

SMILES:

Clc1ncccc1NC(=O)c1cc(OC)c(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.849 kcal/mol

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

Topological Properties
Globularity: 0.0183727	Sterimol/B1: 2.48274	Sterimol/B2: 3.01186	Sterimol/B3: 3.36254
Sterimol/B4: 7.45584	Sterimol/L: 16.0148

Surface and Volume Properties
Accessible surface: 513.232	Positive charged surface: 328.446	Negative charged surface: 184.786	Volume: 261
Hydrophobic surface: 439.837	Hydrophilic surface: 73.395

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.