MMsINC Database Search


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MMsINC code: MMs01179669

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(N(Cc1ccccc1)c1ccccc1C)c1nc2c(cc1)cccc2

InChI:

InChI=1/C24H20N2O/c1-18-9-5-8-14-23(18)26(17-19-10-3-2-4-11-19)24(27)22-16-15-20-12-6-7-13-21(20)25-22/h2-16H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.123 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -5.91871	SlogP: 5.65662	Reactive groups: 0

Topological Properties
Globularity: 0.155666	Sterimol/B1: 2.45893	Sterimol/B2: 5.00388	Sterimol/B3: 5.79296
Sterimol/B4: 5.87558	Sterimol/L: 15.2483

Surface and Volume Properties
Accessible surface: 568.274	Positive charged surface: 334.146	Negative charged surface: 228.875	Volume: 355.125
Hydrophobic surface: 532.552	Hydrophilic surface: 35.722

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.