MMsINC Database Search


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MMsINC code: MMs00668338

Type: Neutral
Formula: C₂₁H₁₇ClN₂O₂

SMILES:

Clc1cc(ccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C21H17ClN2O2/c22-17-10-6-9-16(13-17)20(25)24-19-12-5-4-11-18(19)21(26)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6742 kcal/mol

Physical Properties
Molecular Weight: 364.832 g/mol	logS: -6.00319	SlogP: 4.7887	Reactive groups: 0

Topological Properties
Globularity: 0.0511724	Sterimol/B1: 3.59668	Sterimol/B2: 3.8925	Sterimol/B3: 5.03443
Sterimol/B4: 7.8095	Sterimol/L: 17.9297

Surface and Volume Properties
Accessible surface: 630.611	Positive charged surface: 317.721	Negative charged surface: 312.89	Volume: 341.125
Hydrophobic surface: 563.282	Hydrophilic surface: 67.329

Pharmacophoric Properties
Hydrogen bond donors: 2	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.