MMsINC Database Search


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MMsINC code: MMs01327514

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C(=O)c1c2c(nc(CC)c1C)cccc2)CC(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C24H24N2O3/c1-3-20-16(2)23(19-10-6-7-11-21(19)25-20)24(28)29-15-22(27)26-13-12-17-8-4-5-9-18(17)14-26/h4-11H,3,12-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.873 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.04913	SlogP: 4.11366	Reactive groups: 0

Topological Properties
Globularity: 0.0781693	Sterimol/B1: 2.49463	Sterimol/B2: 3.38086	Sterimol/B3: 5.40974
Sterimol/B4: 9.37155	Sterimol/L: 18.1843

Surface and Volume Properties
Accessible surface: 678.101	Positive charged surface: 409.599	Negative charged surface: 263.323	Volume: 382.125
Hydrophobic surface: 576.237	Hydrophilic surface: 101.864

Pharmacophoric Properties
Hydrogen bond donors: 0	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.