MMsINC Database Search


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MMsINC code: MMs00668177

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

O(C)c1cc(NC(=O)c2cc3c(cc2)C(=O)N(Cc2ccccc2)C3=O)ccc1

InChI:

InChI=1/C23H18N2O4/c1-29-18-9-5-8-17(13-18)24-21(26)16-10-11-19-20(12-16)23(28)25(22(19)27)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3661 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -5.723	SlogP: 4.0101	Reactive groups: 0

Topological Properties
Globularity: 0.0458647	Sterimol/B1: 2.40828	Sterimol/B2: 3.41025	Sterimol/B3: 4.82168
Sterimol/B4: 6.75997	Sterimol/L: 19.7075

Surface and Volume Properties
Accessible surface: 653.971	Positive charged surface: 387.534	Negative charged surface: 266.437	Volume: 361.25
Hydrophobic surface: 529.286	Hydrophilic surface: 124.685

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.