MMsINC Database Search


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MMsINC code: MMs00669757

Type: Neutral
Formula: C₂₁H₁₆ClNO₃

SMILES:

Clc1ccccc1COC(=O)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C21H16ClNO3/c22-19-12-5-4-9-17(19)14-26-21(25)16-10-6-11-18(13-16)23-20(24)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2202 kcal/mol

Physical Properties
Molecular Weight: 365.816 g/mol	logS: -6.23879	SlogP: 5.2157	Reactive groups: 0

Topological Properties
Globularity: 0.00899846	Sterimol/B1: 2.57184	Sterimol/B2: 2.93175	Sterimol/B3: 4.35027
Sterimol/B4: 6.52914	Sterimol/L: 20.5011

Surface and Volume Properties
Accessible surface: 629.022	Positive charged surface: 300.217	Negative charged surface: 328.805	Volume: 338.875
Hydrophobic surface: 548.823	Hydrophilic surface: 80.199

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.