MMsINC Database Search


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MMsINC code: MMs01574522

Type: Neutral
Formula: C₂₄H₂₈N₂O₄

SMILES:

O(C(=O)C1(CCCC1)c1ccccc1)CC(=O)N(CC(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C24H28N2O4/c1-18-10-12-20(13-11-18)25-21(27)16-26(2)22(28)17-30-23(29)24(14-6-7-15-24)19-8-4-3-5-9-19/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.056 kcal/mol

Physical Properties
Molecular Weight: 408.498 g/mol	logS: -5.69695	SlogP: 3.44712	Reactive groups: 0

Topological Properties
Globularity: 0.0958351	Sterimol/B1: 2.78263	Sterimol/B2: 4.50024	Sterimol/B3: 5.17679
Sterimol/B4: 7.80127	Sterimol/L: 18.746

Surface and Volume Properties
Accessible surface: 733.235	Positive charged surface: 477.084	Negative charged surface: 256.151	Volume: 404.25
Hydrophobic surface: 640.979	Hydrophilic surface: 92.256

Pharmacophoric Properties
Hydrogen bond donors: 1	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.