MMsINC Database Search


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MMsINC code: MMs00794076

Type: Neutral
Formula: C₂₆H₁₈N₂O₂

SMILES:

Oc1ccccc1\C=C/C1=Nc2c(cccc2)C(=O)N1c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H18N2O2/c29-24-15-6-2-9-19(24)16-17-25-27-22-13-5-4-12-21(22)26(30)28(25)23-14-7-10-18-8-1-3-11-20(18)23/h1-17,29H/b17-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.178 kcal/mol

Physical Properties
Molecular Weight: 390.442 g/mol	logS: -7.69897	SlogP: 5.9492	Reactive groups: 0

Topological Properties
Globularity: 0.202262	Sterimol/B1: 2.67329	Sterimol/B2: 5.30382	Sterimol/B3: 7.00125
Sterimol/B4: 7.22973	Sterimol/L: 14.5649

Surface and Volume Properties
Accessible surface: 612.058	Positive charged surface: 334.499	Negative charged surface: 271.814	Volume: 374.875
Hydrophobic surface: 537.9	Hydrophilic surface: 74.158

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.