MMsINC Database Search


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MMsINC code: MMs01197615

Type: Neutral
Formula: C₂₄H₃₀N₂O₄

SMILES:

O(C(=O)c1n(C)c(C)c(C(=O)CN(C(=O)CCc2ccccc2)C2CC2)c1C)CC

InChI:

InChI=1/C24H30N2O4/c1-5-30-24(29)23-16(2)22(17(3)25(23)4)20(27)15-26(19-12-13-19)21(28)14-11-18-9-7-6-8-10-18/h6-10,19H,5,11-15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2244 kcal/mol

Physical Properties
Molecular Weight: 410.514 g/mol	logS: -3.69299	SlogP: 3.98431	Reactive groups: 0

Topological Properties
Globularity: 0.0356944	Sterimol/B1: 3.85669	Sterimol/B2: 4.1339	Sterimol/B3: 4.61702
Sterimol/B4: 5.78321	Sterimol/L: 22.9119

Surface and Volume Properties
Accessible surface: 730.311	Positive charged surface: 480.895	Negative charged surface: 249.415	Volume: 421.625
Hydrophobic surface: 586.542	Hydrophilic surface: 143.769

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

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Ions/Tautomers related molecules: no related molecules available.