MMsINC Database Search


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MMsINC code: MMs00706515

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1cc2c3c(n(c2cc1)CC)cccc3

InChI:

InChI=1/C24H24N2O3/c1-4-26-20-8-6-5-7-18(20)19-15-17(10-11-21(19)26)25-24(27)14-16-9-12-22(28-2)23(13-16)29-3/h5-13,15H,4,14H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.058 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.8749	SlogP: 5.27917	Reactive groups: 0

Topological Properties
Globularity: 0.0839775	Sterimol/B1: 4.37115	Sterimol/B2: 4.38957	Sterimol/B3: 4.96618
Sterimol/B4: 7.1195	Sterimol/L: 18.764

Surface and Volume Properties
Accessible surface: 690.028	Positive charged surface: 476.639	Negative charged surface: 201.856	Volume: 387.125
Hydrophobic surface: 612.786	Hydrophilic surface: 77.242

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.