MMsINC Database Search


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MMsINC code: MMs00276363

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(O)Cn1c2c(c3c1cccc3)cccc2)c1ccc(N(C(=O)C)C)cc1

InChI:

InChI=1/C24H24N2O3/c1-17(27)25(2)18-11-13-20(14-12-18)29-16-19(28)15-26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,19,28H,15-16H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.946 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.16111	SlogP: 4.4835	Reactive groups: 0

Topological Properties
Globularity: 0.0305915	Sterimol/B1: 3.23116	Sterimol/B2: 4.35302	Sterimol/B3: 5.06923
Sterimol/B4: 6.82175	Sterimol/L: 19.8625

Surface and Volume Properties
Accessible surface: 684.51	Positive charged surface: 408.573	Negative charged surface: 264.701	Volume: 386.5
Hydrophobic surface: 615.334	Hydrophilic surface: 69.176

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.