MMsINC Database Search


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MMsINC code: MMs01345201

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C(=O)c1c2c(nc(CC)c1C)cccc2)CC(=O)N1CCCc2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.61 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.30686	SlogP: 4.24176	Reactive groups: 0

Topological Properties
Globularity: 0.119522	Sterimol/B1: 2.44254	Sterimol/B2: 4.3705	Sterimol/B3: 5.68325
Sterimol/B4: 9.26834	Sterimol/L: 17.1431

Surface and Volume Properties
Accessible surface: 673.955	Positive charged surface: 412.976	Negative charged surface: 256.083	Volume: 379.625
Hydrophobic surface: 583.461	Hydrophilic surface: 90.494

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.