MMsINC Database Search


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MMsINC code: MMs03132870

Type: Neutral
Formula: C₂₆H₁₈N₂O₂

SMILES:

O(c1c2ncccc2ccc1)c1ccc(NC(=O)c2c3c(ccc2)cccc3)cc1

InChI:

InChI=1/C26H18N2O2/c29-26(23-11-3-7-18-6-1-2-10-22(18)23)28-20-13-15-21(16-14-20)30-24-12-4-8-19-9-5-17-27-25(19)24/h1-17H,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.433 kcal/mol

Physical Properties
Molecular Weight: 390.442 g/mol	logS: -7.604	SlogP: 6.4326	Reactive groups: 0

Topological Properties
Globularity: 0.047839	Sterimol/B1: 2.7669	Sterimol/B2: 4.20227	Sterimol/B3: 4.62419
Sterimol/B4: 7.15166	Sterimol/L: 20.685

Surface and Volume Properties
Accessible surface: 664.005	Positive charged surface: 366.55	Negative charged surface: 282.177	Volume: 376.25
Hydrophobic surface: 615.869	Hydrophilic surface: 48.136

Pharmacophoric Properties
Hydrogen bond donors: 1	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.