MMsINC Database Search


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MMsINC code: MMs00231514

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

o1cccc1C(=O)Nc1ccc(NC(=O)c2cc3c(cc2)cccc3)cc1OC

InChI:

InChI=1/C23H18N2O4/c1-28-21-14-18(10-11-19(21)25-23(27)20-7-4-12-29-20)24-22(26)17-9-8-15-5-2-3-6-16(15)13-17/h2-14H,1H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.892 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -7.00469	SlogP: 4.946	Reactive groups: 0

Topological Properties
Globularity: 0.0158003	Sterimol/B1: 2.25679	Sterimol/B2: 2.38155	Sterimol/B3: 3.54064
Sterimol/B4: 8.37928	Sterimol/L: 21.847

Surface and Volume Properties
Accessible surface: 669.615	Positive charged surface: 377.102	Negative charged surface: 282.998	Volume: 360.75
Hydrophobic surface: 574.147	Hydrophilic surface: 95.468

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.