MMsINC Database Search


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MMsINC code: MMs01198077

Type: Neutral
Formula: C₂₄H₃₂N₂O₄

SMILES:

O(C(=O)c1n(C)c(C)c(C(=O)C(N(C(=O)c2ccc(cc2)CCCC)C)C)c1C)C

InChI:

InChI=1/C24H32N2O4/c1-8-9-10-18-11-13-19(14-12-18)23(28)26(6)17(4)22(27)20-15(2)21(24(29)30-7)25(5)16(20)3/h11-14,17H,8-10H2,1-7H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.434 kcal/mol

Physical Properties
Molecular Weight: 412.53 g/mol	logS: -5.2168	SlogP: 4.47371	Reactive groups: 0

Topological Properties
Globularity: 0.0295573	Sterimol/B1: 2.99601	Sterimol/B2: 3.53771	Sterimol/B3: 3.87647
Sterimol/B4: 6.21373	Sterimol/L: 23.6334

Surface and Volume Properties
Accessible surface: 737.789	Positive charged surface: 522.15	Negative charged surface: 215.639	Volume: 419.5
Hydrophobic surface: 612.938	Hydrophilic surface: 124.851

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.