MMsINC Database Search


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MMsINC code: MMs00714921

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

o1cccc1CNC(=O)c1cc(nc2c1cccc2)-c1ccc(OC)cc1OC

InChI:

InChI=1/C23H20N2O4/c1-27-15-9-10-18(22(12-15)28-2)21-13-19(17-7-3-4-8-20(17)25-21)23(26)24-14-16-6-5-11-29-16/h3-13H,14H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.475 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.13496	SlogP: 4.7084	Reactive groups: 0

Topological Properties
Globularity: 0.0240784	Sterimol/B1: 2.28373	Sterimol/B2: 3.25604	Sterimol/B3: 3.39071
Sterimol/B4: 12.99	Sterimol/L: 14.9664

Surface and Volume Properties
Accessible surface: 676.839	Positive charged surface: 419.174	Negative charged surface: 246.013	Volume: 369
Hydrophobic surface: 589.138	Hydrophilic surface: 87.701

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.