MMsINC Database Search


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MMsINC code: MMs02816992

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O(c1cc2c3c([nH]c2cc1)c(c1c(cncc1)c3C)C)c1ccccc1

InChI:

InChI=1/C23H18N2O/c1-14-20-13-24-11-10-18(20)15(2)23-22(14)19-12-17(8-9-21(19)25-23)26-16-6-4-3-5-7-16/h3-13,25H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.717 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.5583	SlogP: 6.27844	Reactive groups: 0

Topological Properties
Globularity: 0.0585685	Sterimol/B1: 3.55799	Sterimol/B2: 3.75237	Sterimol/B3: 3.83783
Sterimol/B4: 6.98101	Sterimol/L: 16.6706

Surface and Volume Properties
Accessible surface: 580.886	Positive charged surface: 339.936	Negative charged surface: 221.593	Volume: 333.125
Hydrophobic surface: 549.899	Hydrophilic surface: 30.987

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.