MMsINC Database Search


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MMsINC code: MMs01502562

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₃

SMILES:

Clc1ccc(NC(=O)C(NC(=O)c2ccccc2OCC)C(C)C)cc1

InChI:

InChI=1/C20H23ClN2O3/c1-4-26-17-8-6-5-7-16(17)19(24)23-18(13(2)3)20(25)22-15-11-9-14(21)10-12-15/h5-13,18H,4H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.186 kcal/mol

Physical Properties
Molecular Weight: 374.868 g/mol	logS: -5.37007	SlogP: 4.1318	Reactive groups: 0

Topological Properties
Globularity: 0.129721	Sterimol/B1: 2.45619	Sterimol/B2: 2.71907	Sterimol/B3: 6.88776
Sterimol/B4: 7.90033	Sterimol/L: 18.604

Surface and Volume Properties
Accessible surface: 652.745	Positive charged surface: 377.848	Negative charged surface: 274.897	Volume: 357.75
Hydrophobic surface: 548.516	Hydrophilic surface: 104.229

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.