MMsINC Database Search


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MMsINC code: MMs01276456

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1ccccc1NC(=O)C1N(Cc2c(C1)cccc2)C(=O)c1ccccc1

InChI:

InChI=1/C23H19ClN2O2/c24-19-12-6-7-13-20(19)25-22(27)21-14-17-10-4-5-11-18(17)15-26(21)23(28)16-8-2-1-3-9-16/h1-13,21H,14-15H2,(H,25,27)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.307 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -6.10751	SlogP: 4.81217	Reactive groups: 0

Topological Properties
Globularity: 0.139611	Sterimol/B1: 2.35163	Sterimol/B2: 4.21002	Sterimol/B3: 4.39613
Sterimol/B4: 10.8823	Sterimol/L: 15.6308

Surface and Volume Properties
Accessible surface: 621.229	Positive charged surface: 321.51	Negative charged surface: 299.72	Volume: 364
Hydrophobic surface: 585.735	Hydrophilic surface: 35.494

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.