MMsINC Database Search


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MMsINC code: MMs01259770

Type: Neutral
Formula: C₂₅H₂₀N₂O₃

SMILES:

O(C)c1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(cc3)cccc4)cc2)cc1

InChI:

InChI=1/C25H20N2O3/c1-30-23-14-12-22(13-15-23)26-24(28)18-8-10-21(11-9-18)27-25(29)20-7-6-17-4-2-3-5-19(17)16-20/h2-16H,1H3,(H,26,28)(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.595 kcal/mol

Physical Properties
Molecular Weight: 396.446 g/mol	logS: -7.25312	SlogP: 5.353	Reactive groups: 0

Topological Properties
Globularity: 0.0132839	Sterimol/B1: 2.51556	Sterimol/B2: 3.04468	Sterimol/B3: 3.8374
Sterimol/B4: 4.96122	Sterimol/L: 24.7957

Surface and Volume Properties
Accessible surface: 696.2	Positive charged surface: 393.595	Negative charged surface: 291.623	Volume: 382.125
Hydrophobic surface: 611.352	Hydrophilic surface: 84.848

Pharmacophoric Properties
Hydrogen bond donors: 2	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.