MMsINC Database Search


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MMsINC code: MMs00335469

Type: Neutral
Formula: C₁₆H₂₀ClN₃O₃

SMILES:

Clc1ccc(cc1)-c1nc(on1)CCCC(=O)NCCCOC

InChI:

InChI=1/C16H20ClN3O3/c1-22-11-3-10-18-14(21)4-2-5-15-19-16(20-23-15)12-6-8-13(17)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.264 kcal/mol

Physical Properties
Molecular Weight: 337.807 g/mol	logS: -4.55372	SlogP: 2.86537	Reactive groups: 0

Topological Properties
Globularity: 0.0258963	Sterimol/B1: 3.14315	Sterimol/B2: 3.53739	Sterimol/B3: 3.54566
Sterimol/B4: 5.63192	Sterimol/L: 23.2576

Surface and Volume Properties
Accessible surface: 644.222	Positive charged surface: 416.865	Negative charged surface: 227.358	Volume: 315.125
Hydrophobic surface: 536.979	Hydrophilic surface: 107.243

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.