MMsINC Database Search


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MMsINC code: MMs01112903

Type: Neutral
Formula: C₂₆H₁₈N₂O₂

SMILES:

Oc1ccc(cc1)\C=C/C1=Nc2c(cccc2)C(=O)N1c1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.803 kcal/mol

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

Topological Properties
Globularity: 0.193949	Sterimol/B1: 2.64074	Sterimol/B2: 4.07297	Sterimol/B3: 7.14597
Sterimol/B4: 7.34514	Sterimol/L: 15.0629

Surface and Volume Properties
Accessible surface: 610.738	Positive charged surface: 333.151	Negative charged surface: 271.744	Volume: 375.375
Hydrophobic surface: 529.545	Hydrophilic surface: 81.193

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.