MMsINC Database Search


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MMsINC code: MMs00907862

Type: Neutral
Formula: C₂₄H₂₈N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cc(cc2)C(C)C)c(c1)C(=O)NCCCC

InChI:

InChI=1/C24H28N2O2/c1-5-6-13-25-24(27)21-15-23(17-7-10-19(28-4)11-8-17)26-22-12-9-18(16(2)3)14-20(21)22/h7-12,14-16H,5-6,13H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4929 kcal/mol

Physical Properties
Molecular Weight: 376.5 g/mol	logS: -7.11367	SlogP: 5.5637	Reactive groups: 0

Topological Properties
Globularity: 0.0291362	Sterimol/B1: 2.57369	Sterimol/B2: 3.5271	Sterimol/B3: 3.71917
Sterimol/B4: 13.7277	Sterimol/L: 17.9319

Surface and Volume Properties
Accessible surface: 706.786	Positive charged surface: 484.367	Negative charged surface: 211.305	Volume: 392
Hydrophobic surface: 578.202	Hydrophilic surface: 128.584

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.