MMsINC Database Search


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MMsINC code: MMs01868027

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

O(c1ccc(cc1OC)C)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

InChI=1/C23H20N2O4/c1-14-11-12-18(20(13-14)28-3)29-23-15-7-4-5-9-17(15)24-22(25-23)16-8-6-10-19(27-2)21(16)26/h4-13,26H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.591 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -7.12678	SlogP: 5.12032	Reactive groups: 0

Topological Properties
Globularity: 0.147726	Sterimol/B1: 2.18623	Sterimol/B2: 2.25831	Sterimol/B3: 6.45232
Sterimol/B4: 11.7818	Sterimol/L: 15.3826

Surface and Volume Properties
Accessible surface: 675.915	Positive charged surface: 451.091	Negative charged surface: 217.773	Volume: 368.625
Hydrophobic surface: 598.689	Hydrophilic surface: 77.226

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.