MMsINC Database Search


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MMsINC code: MMs00395931

Type: Neutral
Formula: C₂₆H₁₆N₂O₃

SMILES:

O1c2cc(Nc3ccccc3)c3c(c2Nc2c1cccc2)C(=O)c1c(cccc1)C3=O

InChI:

InChI=1/C26H16N2O3/c29-25-16-10-4-5-11-17(16)26(30)23-22(25)19(27-15-8-2-1-3-9-15)14-21-24(23)28-18-12-6-7-13-20(18)31-21/h1-14,27-28H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.635 kcal/mol

Physical Properties
Molecular Weight: 404.425 g/mol	logS: -7.67459	SlogP: 6.0549	Reactive groups: 0

Topological Properties
Globularity: 0.0701263	Sterimol/B1: 2.22512	Sterimol/B2: 2.89283	Sterimol/B3: 5.17824
Sterimol/B4: 10.6982	Sterimol/L: 16.0999

Surface and Volume Properties
Accessible surface: 639.147	Positive charged surface: 370.72	Negative charged surface: 268.428	Volume: 372.5
Hydrophobic surface: 569.738	Hydrophilic surface: 69.409

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.