MMsINC Database Search


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MMsINC code: MMs01118514

Type: Neutral
Formula: C₂₄H₂₂N₂O₄

SMILES:

o1c2c(nc1-c1ccc(NC(=O)c3c(OC)cccc3OC)cc1)cc(cc2C)C

InChI:

InChI=1/C24H22N2O4/c1-14-12-15(2)22-18(13-14)26-24(30-22)16-8-10-17(11-9-16)25-23(27)21-19(28-3)6-5-7-20(21)29-4/h5-13H,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.508 kcal/mol

Physical Properties
Molecular Weight: 402.45 g/mol	logS: -7.40569	SlogP: 5.38114	Reactive groups: 0

Topological Properties
Globularity: 0.0342651	Sterimol/B1: 2.46344	Sterimol/B2: 4.24582	Sterimol/B3: 5.1564
Sterimol/B4: 7.09761	Sterimol/L: 21.0881

Surface and Volume Properties
Accessible surface: 718.72	Positive charged surface: 484.016	Negative charged surface: 234.704	Volume: 386.375
Hydrophobic surface: 639.025	Hydrophilic surface: 79.695

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.