MMsINC Database Search


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MMsINC code: MMs00477792

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O=C1c2c3n(c4c(c3ccc2)cccc4)C(=O)C1(NCc1ccccc1)C

InChI:

InChI=1/C23H18N2O2/c1-23(24-14-15-8-3-2-4-9-15)21(26)18-12-7-11-17-16-10-5-6-13-19(16)25(20(17)18)22(23)27/h2-13,24H,14H2,1H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.552 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.11858	SlogP: 4.4459	Reactive groups: 0

Topological Properties
Globularity: 0.231356	Sterimol/B1: 2.31462	Sterimol/B2: 3.22706	Sterimol/B3: 7.40344
Sterimol/B4: 7.53234	Sterimol/L: 15.165

Surface and Volume Properties
Accessible surface: 585.996	Positive charged surface: 298.114	Negative charged surface: 276.822	Volume: 342.5
Hydrophobic surface: 505.075	Hydrophilic surface: 80.921

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.