MMsINC Database Search


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MMsINC code: MMs00937290

Type: Neutral
Formula: C₂₄H₂₈N₂O₄

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)N(CCC)c1cc(ccc1)C)CC

InChI:

InChI=1/C24H28N2O4/c1-6-11-26(17-10-8-9-16(3)12-17)24(28)20-15-25(7-2)23(27)19-14-22(30-5)21(29-4)13-18(19)20/h8-10,12-15H,6-7,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.506 kcal/mol

Physical Properties
Molecular Weight: 408.498 g/mol	logS: -5.15089	SlogP: 4.27202	Reactive groups: 0

Topological Properties
Globularity: 0.19917	Sterimol/B1: 2.33329	Sterimol/B2: 5.00503	Sterimol/B3: 7.50584
Sterimol/B4: 8.51917	Sterimol/L: 16.0598

Surface and Volume Properties
Accessible surface: 680.072	Positive charged surface: 474.53	Negative charged surface: 205.542	Volume: 406.25
Hydrophobic surface: 571.038	Hydrophilic surface: 109.034

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.