MMsINC Database Search


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MMsINC code: MMs00160300

Type: Neutral
Formula: C₂₄H₃₀N₂O₄

SMILES:

O(C)c1cc(cc(OC)c1)C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(C)C

InChI:

InChI=1/C24H30N2O4/c1-16(2)17-5-7-20(8-6-17)25-23(27)18-9-11-26(12-10-18)24(28)19-13-21(29-3)15-22(14-19)30-4/h5-8,13-16,18H,9-12H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.959 kcal/mol

Physical Properties
Molecular Weight: 410.514 g/mol	logS: -5.33543	SlogP: 4.3181	Reactive groups: 0

Topological Properties
Globularity: 0.0728887	Sterimol/B1: 2.12129	Sterimol/B2: 4.4287	Sterimol/B3: 5.07359
Sterimol/B4: 8.33471	Sterimol/L: 20.3744

Surface and Volume Properties
Accessible surface: 728.4	Positive charged surface: 535.429	Negative charged surface: 192.971	Volume: 406.5
Hydrophobic surface: 602.951	Hydrophilic surface: 125.449

Pharmacophoric Properties
Hydrogen bond donors: 1	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.