MMsINC Database Search


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MMsINC code: MMs00618360

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₂

SMILES:

Clc1cc(NC(=O)c2c(noc2C)-c2ccccc2)c(cc1)C

InChI:

InChI=1/C18H15ClN2O2/c1-11-8-9-14(19)10-15(11)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4996 kcal/mol

Physical Properties
Molecular Weight: 326.783 g/mol	logS: -5.60455	SlogP: 4.86414	Reactive groups: 0

Topological Properties
Globularity: 0.141744	Sterimol/B1: 2.38984	Sterimol/B2: 5.79293	Sterimol/B3: 6.01216
Sterimol/B4: 6.72295	Sterimol/L: 13.7573

Surface and Volume Properties
Accessible surface: 553.38	Positive charged surface: 249.938	Negative charged surface: 303.441	Volume: 301.5
Hydrophobic surface: 500.356	Hydrophilic surface: 53.024

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

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Ions/Tautomers related molecules: no related molecules available.