MMsINC Database Search


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MMsINC code: MMs03305303

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(Nc1cc2c(nc1)cccc2)C(c1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C24H20N2O/c1-17-11-13-19(14-12-17)23(18-7-3-2-4-8-18)24(27)26-21-15-20-9-5-6-10-22(20)25-16-21/h2-16,23H,1H3,(H,26,27)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.307 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.12126	SlogP: 5.31382	Reactive groups: 0

Topological Properties
Globularity: 0.0928429	Sterimol/B1: 2.44164	Sterimol/B2: 3.60152	Sterimol/B3: 4.65516
Sterimol/B4: 10.2669	Sterimol/L: 16.5558

Surface and Volume Properties
Accessible surface: 626.526	Positive charged surface: 372.259	Negative charged surface: 249.454	Volume: 354.75
Hydrophobic surface: 580.572	Hydrophilic surface: 45.954

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.