MMsINC Database Search


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MMsINC code: MMs00210558

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1c(cccc1OC)C(=O)N1CCN(CC1)C(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H24N2O4/c1-29-21-12-6-11-20(22(21)30-2)24(28)26-15-13-25(14-16-26)23(27)19-10-5-8-17-7-3-4-9-18(17)19/h3-12H,13-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.624 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.38698	SlogP: 3.4552	Reactive groups: 0

Topological Properties
Globularity: 0.112048	Sterimol/B1: 2.9434	Sterimol/B2: 3.8346	Sterimol/B3: 4.43351
Sterimol/B4: 7.20153	Sterimol/L: 18.1474

Surface and Volume Properties
Accessible surface: 651.415	Positive charged surface: 440.56	Negative charged surface: 201.142	Volume: 390.375
Hydrophobic surface: 584.613	Hydrophilic surface: 66.802

Pharmacophoric Properties
Hydrogen bond donors: 0	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.