MMsINC Database Search


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MMsINC code: MMs02195799

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

OC(C(=O)Nc1cc2c(nc1)cccc2)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18N2O2/c26-22(25-20-15-17-9-7-8-14-21(17)24-16-20)23(27,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16,27H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.252 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.50877	SlogP: 4.4209	Reactive groups: 0

Topological Properties
Globularity: 0.115469	Sterimol/B1: 2.42859	Sterimol/B2: 3.78894	Sterimol/B3: 4.49028
Sterimol/B4: 9.2323	Sterimol/L: 15.5604

Surface and Volume Properties
Accessible surface: 616.188	Positive charged surface: 348.327	Negative charged surface: 262.452	Volume: 344.5
Hydrophobic surface: 551.858	Hydrophilic surface: 64.33

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.