MMsINC Database Search


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MMsINC code: MMs02898645

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O(C)c1ccccc1C(Nc1ccc(cc1)C)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C24H24N2O/c1-16-12-14-18(15-13-16)26-24(20-9-5-7-11-22(20)27-3)23-17(2)25-21-10-6-4-8-19(21)23/h4-15,24-26H,1-3H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.563 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.84473	SlogP: 6.09034	Reactive groups: 0

Topological Properties
Globularity: 0.290103	Sterimol/B1: 4.57445	Sterimol/B2: 4.6266	Sterimol/B3: 6.28471
Sterimol/B4: 6.98914	Sterimol/L: 15.2352

Surface and Volume Properties
Accessible surface: 631.94	Positive charged surface: 392.472	Negative charged surface: 235.663	Volume: 366.875
Hydrophobic surface: 599.507	Hydrophilic surface: 32.433

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.