MMsINC Database Search


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MMsINC code: MMs01958351

Type: Neutral
Formula: C₂₆H₁₈N₂O₃

SMILES:

O(C)c1c2c(-c3ncc(c4c5c(n(c34)C2=O)cccc5)-c2ccccc2)ccc1OC

InChI:

InChI=1/C26H18N2O3/c1-30-20-13-12-17-22(25(20)31-2)26(29)28-19-11-7-6-10-16(19)21-18(14-27-23(17)24(21)28)15-8-4-3-5-9-15/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.999 kcal/mol

Physical Properties
Molecular Weight: 406.441 g/mol	logS: -7.58936	SlogP: 5.5426	Reactive groups: 0

Topological Properties
Globularity: 0.0272546	Sterimol/B1: 2.75765	Sterimol/B2: 3.18505	Sterimol/B3: 3.59978
Sterimol/B4: 8.4205	Sterimol/L: 18.4592

Surface and Volume Properties
Accessible surface: 634.676	Positive charged surface: 401.832	Negative charged surface: 213.42	Volume: 379.875
Hydrophobic surface: 586.795	Hydrophilic surface: 47.881

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.