MMsINC Database Search


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MMsINC code: MMs00698526

Type: Neutral
Formula: C₂₆H₂₆ClNO₃

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)COc2cc(ccc2C(C)(C)C)C)cc1

InChI:

InChI=1/C26H26ClNO3/c1-17-10-12-21(26(2,3)4)23(14-17)31-16-24(29)28-22-13-11-19(27)15-20(22)25(30)18-8-6-5-7-9-18/h5-15H,16H2,1-4H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.081 kcal/mol

Physical Properties
Molecular Weight: 435.951 g/mol	logS: -8.41884	SlogP: 6.19442	Reactive groups: 0

Topological Properties
Globularity: 0.127918	Sterimol/B1: 2.45387	Sterimol/B2: 2.55306	Sterimol/B3: 6.65497
Sterimol/B4: 9.97225	Sterimol/L: 15.9964

Surface and Volume Properties
Accessible surface: 729.637	Positive charged surface: 391.24	Negative charged surface: 338.397	Volume: 423
Hydrophobic surface: 625.211	Hydrophilic surface: 104.426

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.