MMsINC Database Search


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MMsINC code: MMs00913327

Type: Neutral
Formula: C₂₆H₂₀N₂O₃

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CN2c3c4c(cccc4ccc3)C2=O)cc1

InChI:

InChI=1/C26H20N2O3/c29-24(16-28-23-11-5-9-19-8-4-10-22(25(19)23)26(28)30)27-20-12-14-21(15-13-20)31-17-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.535 kcal/mol

Physical Properties
Molecular Weight: 408.457 g/mol	logS: -7.29597	SlogP: 5.2841	Reactive groups: 0

Topological Properties
Globularity: 0.066186	Sterimol/B1: 2.79797	Sterimol/B2: 4.51204	Sterimol/B3: 5.43875
Sterimol/B4: 6.2336	Sterimol/L: 20.9651

Surface and Volume Properties
Accessible surface: 708.91	Positive charged surface: 393.924	Negative charged surface: 303.702	Volume: 394.5
Hydrophobic surface: 617.234	Hydrophilic surface: 91.676

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.