MMsINC Database Search


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MMsINC code: MMs03479856

Type: Neutral
Formula: C₂₄H₂₈N₂O₃

SMILES:

O(C(=O)c1c2c(nc(CC)c1C)cccc2)CC(=O)c1cc(n(CCC)c1C)C

InChI:

InChI=1/C24H28N2O3/c1-6-12-26-15(3)13-19(17(26)5)22(27)14-29-24(28)23-16(4)20(7-2)25-21-11-9-8-10-18(21)23/h8-11,13H,6-7,12,14H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.3279 kcal/mol

Physical Properties
Molecular Weight: 392.499 g/mol	logS: -4.62302	SlogP: 5.24003	Reactive groups: 0

Topological Properties
Globularity: 0.0785776	Sterimol/B1: 2.69923	Sterimol/B2: 5.57397	Sterimol/B3: 5.7676
Sterimol/B4: 6.21458	Sterimol/L: 19.2674

Surface and Volume Properties
Accessible surface: 707.614	Positive charged surface: 432.629	Negative charged surface: 270.137	Volume: 402.375
Hydrophobic surface: 578.783	Hydrophilic surface: 128.831

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.