MMsINC Database Search


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MMsINC code: MMs00122080

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(N(c1cc2c(cc1)cccc2)c1ccccc1)c1cc(N)ccc1

InChI:

InChI=1/C23H18N2O/c24-20-10-6-9-19(15-20)23(26)25(21-11-2-1-3-12-21)22-14-13-17-7-4-5-8-18(17)16-22/h1-16H,24H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.588 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.6715	SlogP: 5.4005	Reactive groups: 0

Topological Properties
Globularity: 0.0398537	Sterimol/B1: 2.40453	Sterimol/B2: 3.17227	Sterimol/B3: 3.28738
Sterimol/B4: 9.10865	Sterimol/L: 16.2691

Surface and Volume Properties
Accessible surface: 568.79	Positive charged surface: 325.592	Negative charged surface: 233.755	Volume: 332.75
Hydrophobic surface: 485.04	Hydrophilic surface: 83.75

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: 1

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Ions/Tautomers related molecules: no related molecules available.