MMsINC Database Search


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MMsINC code: MMs02907928

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C(=O)c1cc(n(c1C)-c1ccccc1)C)CC(=O)N1c2c(CC1C)cccc2

InChI:

InChI=1/C24H24N2O3/c1-16-13-19-9-7-8-12-22(19)26(16)23(27)15-29-24(28)21-14-17(2)25(18(21)3)20-10-5-4-6-11-20/h4-12,14,16H,13,15H2,1-3H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.617 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -4.956	SlogP: 4.22871	Reactive groups: 0

Topological Properties
Globularity: 0.0248144	Sterimol/B1: 2.31364	Sterimol/B2: 3.32251	Sterimol/B3: 3.63835
Sterimol/B4: 8.17409	Sterimol/L: 20.0111

Surface and Volume Properties
Accessible surface: 679.982	Positive charged surface: 408.55	Negative charged surface: 271.431	Volume: 386.625
Hydrophobic surface: 592.263	Hydrophilic surface: 87.719

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.