MMsINC Database Search


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MMsINC code: MMs02898650

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O(C)c1ccccc1C(Nc1ccccc1C)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C24H24N2O/c1-16-10-4-7-13-20(16)26-24(19-12-6-9-15-22(19)27-3)23-17(2)25-21-14-8-5-11-18(21)23/h4-15,24-26H,1-3H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.265 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.53128	SlogP: 6.09034	Reactive groups: 0

Topological Properties
Globularity: 0.385026	Sterimol/B1: 2.43551	Sterimol/B2: 5.09553	Sterimol/B3: 5.64588
Sterimol/B4: 9.54203	Sterimol/L: 14.2032

Surface and Volume Properties
Accessible surface: 615.468	Positive charged surface: 371.126	Negative charged surface: 239.791	Volume: 369
Hydrophobic surface: 585.631	Hydrophilic surface: 29.837

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.