MMsINC Database Search


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MMsINC code: MMs00650560

Type: Neutral
Formula: C₂₃H₂₀ClNO₄

SMILES:

Clc1ccccc1C(=O)Nc1cc(OC(C(=O)c2ccc(OC)cc2)C)ccc1

InChI:

InChI=1/C23H20ClNO4/c1-15(22(26)16-10-12-18(28-2)13-11-16)29-19-7-5-6-17(14-19)25-23(27)20-8-3-4-9-21(20)24/h3-15H,1-2H3,(H,25,27)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.759 kcal/mol

Physical Properties
Molecular Weight: 409.869 g/mol	logS: -6.61638	SlogP: 5.2511	Reactive groups: 0

Topological Properties
Globularity: 0.0455695	Sterimol/B1: 1.97676	Sterimol/B2: 4.95305	Sterimol/B3: 6.05862
Sterimol/B4: 7.77813	Sterimol/L: 17.6595

Surface and Volume Properties
Accessible surface: 683.91	Positive charged surface: 374.85	Negative charged surface: 309.059	Volume: 378.75
Hydrophobic surface: 587.906	Hydrophilic surface: 96.004

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.