MMsINC Database Search


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MMsINC code: MMs00294545

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccc(cc1)C

InChI:

InChI=1/C23H18N2O2/c1-16-6-11-18(12-7-16)25-22(15-10-17-8-13-19(26)14-9-17)24-21-5-3-2-4-20(21)23(25)27/h2-15,26H,1H3/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.529 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.29501	SlogP: 5.10442	Reactive groups: 0

Topological Properties
Globularity: 0.0475042	Sterimol/B1: 2.11605	Sterimol/B2: 3.60693	Sterimol/B3: 3.64602
Sterimol/B4: 11.2313	Sterimol/L: 16.747

Surface and Volume Properties
Accessible surface: 626.484	Positive charged surface: 351.416	Negative charged surface: 275.069	Volume: 348
Hydrophobic surface: 533.643	Hydrophilic surface: 92.841

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: 1

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Ions/Tautomers related molecules: no related molecules available.