MMsINC Database Search


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MMsINC code: MMs02762540

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₃

SMILES:

Clc1ccc(NC(=O)NCc2cc(OC)c(OC)cc2)cc1

InChI:

InChI=1/C16H17ClN2O3/c1-21-14-8-3-11(9-15(14)22-2)10-18-16(20)19-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4391 kcal/mol

Physical Properties
Molecular Weight: 320.776 g/mol	logS: -4.03114	SlogP: 3.9453	Reactive groups: 0

Topological Properties
Globularity: 0.0538156	Sterimol/B1: 2.44987	Sterimol/B2: 2.74457	Sterimol/B3: 4.33121
Sterimol/B4: 7.13909	Sterimol/L: 19.3929

Surface and Volume Properties
Accessible surface: 589.169	Positive charged surface: 376.88	Negative charged surface: 212.289	Volume: 296.375
Hydrophobic surface: 501.916	Hydrophilic surface: 87.253

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.