MMsINC Database Search


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MMsINC code: MMs03224492

Type: Neutral
Formula: C₁₇H₂₀Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C17H20Cl2N2O2/c1-9(2)21(10(3)4)17(22)14-11(5)23-20-16(14)15-12(18)7-6-8-13(15)19/h6-10H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1604 kcal/mol

Physical Properties
Molecular Weight: 355.265 g/mol	logS: -5.55736	SlogP: 5.21582	Reactive groups: 0

Topological Properties
Globularity: 0.377802	Sterimol/B1: 2.48761	Sterimol/B2: 4.07865	Sterimol/B3: 5.57004
Sterimol/B4: 8.24209	Sterimol/L: 11.9889

Surface and Volume Properties
Accessible surface: 517.393	Positive charged surface: 249.905	Negative charged surface: 267.488	Volume: 326.125
Hydrophobic surface: 427.924	Hydrophilic surface: 89.469

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.