MMsINC Database Search


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MMsINC code: MMs00937289

Type: Neutral
Formula: C₂₄H₂₈N₂O₄

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)N(CC)c1ccc(cc1)CC)CC

InChI:

InChI=1/C24H28N2O4/c1-6-16-9-11-17(12-10-16)26(8-3)24(28)20-15-25(7-2)23(27)19-14-22(30-5)21(29-4)13-18(19)20/h9-15H,6-8H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.515 kcal/mol

Physical Properties
Molecular Weight: 408.498 g/mol	logS: -5.46434	SlogP: 4.13587	Reactive groups: 0

Topological Properties
Globularity: 0.0813993	Sterimol/B1: 3.84076	Sterimol/B2: 4.42749	Sterimol/B3: 5.35634
Sterimol/B4: 8.02853	Sterimol/L: 17.5271

Surface and Volume Properties
Accessible surface: 689.1	Positive charged surface: 490.099	Negative charged surface: 199.001	Volume: 404.125
Hydrophobic surface: 561.711	Hydrophilic surface: 127.389

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.