MMsINC Database Search


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MMsINC code: MMs00814192

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O(C)c1ccccc1C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H20N2O/c1-27-23-13-7-4-10-18(23)24(19-14-25-21-11-5-2-8-16(19)21)20-15-26-22-12-6-3-9-17(20)22/h2-15,24-26H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.131 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -5.46045	SlogP: 5.838	Reactive groups: 0

Topological Properties
Globularity: 0.491056	Sterimol/B1: 2.47903	Sterimol/B2: 3.63147	Sterimol/B3: 7.45884
Sterimol/B4: 7.93425	Sterimol/L: 13.7814

Surface and Volume Properties
Accessible surface: 611.837	Positive charged surface: 357.651	Negative charged surface: 244.417	Volume: 352.875
Hydrophobic surface: 534.805	Hydrophilic surface: 77.032

Pharmacophoric Properties
Hydrogen bond donors: 2	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.