MMsINC Database Search


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MMsINC code: MMs01197675

Type: Neutral
Formula: C₂₄H₃₂N₂O₄

SMILES:

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

InChI:

InChI=1/C24H32N2O4/c1-7-30-24(29)23-17(4)22(18(5)25(23)6)20(27)15-26(16(2)3)21(28)14-13-19-11-9-8-10-12-19/h8-12,16H,7,13-15H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3671 kcal/mol

Physical Properties
Molecular Weight: 412.53 g/mol	logS: -3.79503	SlogP: 4.23031	Reactive groups: 0

Topological Properties
Globularity: 0.0405768	Sterimol/B1: 4.0864	Sterimol/B2: 4.1092	Sterimol/B3: 4.69813
Sterimol/B4: 5.67718	Sterimol/L: 22.9098

Surface and Volume Properties
Accessible surface: 733.415	Positive charged surface: 479.541	Negative charged surface: 253.874	Volume: 424.125
Hydrophobic surface: 592.087	Hydrophilic surface: 141.328

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.