MMsINC Database Search


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MMsINC code: MMs00809915

Type: Neutral
Formula: C₂₄H₃₀N₂O₄

SMILES:

O(CC)c1ccccc1C(=O)N1CCC(CC1)CNC(=O)c1ccccc1OCC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.003 kcal/mol

Physical Properties
Molecular Weight: 410.514 g/mol	logS: -4.74938	SlogP: 3.7662	Reactive groups: 0

Topological Properties
Globularity: 0.0755943	Sterimol/B1: 2.4887	Sterimol/B2: 2.71698	Sterimol/B3: 6.19833
Sterimol/B4: 7.61868	Sterimol/L: 19.3139

Surface and Volume Properties
Accessible surface: 742.012	Positive charged surface: 516.735	Negative charged surface: 225.277	Volume: 411.375
Hydrophobic surface: 633.05	Hydrophilic surface: 108.962

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.