MMsINC Database Search


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MMsINC code: MMs01177895

Type: Neutral
Formula: C₁₉H₂₆ClN₃O₅

SMILES:

Clc1cccc(N2CN(CC2=O)C(=O)CN(C(=O)COC)CCCOC)c1C

InChI:

InChI=1/C19H26ClN3O5/c1-14-15(20)6-4-7-16(14)23-13-22(11-18(23)25)17(24)10-21(8-5-9-27-2)19(26)12-28-3/h4,6-7H,5,8-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.957 kcal/mol

Physical Properties
Molecular Weight: 411.886 g/mol	logS: -2.85029	SlogP: 1.29262	Reactive groups: 0

Topological Properties
Globularity: 0.0456544	Sterimol/B1: 3.13573	Sterimol/B2: 3.2418	Sterimol/B3: 4.49526
Sterimol/B4: 10.6244	Sterimol/L: 19.1828

Surface and Volume Properties
Accessible surface: 713.271	Positive charged surface: 485.32	Negative charged surface: 227.95	Volume: 383.75
Hydrophobic surface: 590.835	Hydrophilic surface: 122.436

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.