MMsINC Database Search


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MMsINC code: MMs01043445

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O1CCOc2c1cc1c(ncc(C(=O)c3ccccc3)c1N1CCCCCC1)c2

InChI:

InChI=1/C24H24N2O3/c27-24(17-8-4-3-5-9-17)19-16-25-20-15-22-21(28-12-13-29-22)14-18(20)23(19)26-10-6-1-2-7-11-26/h3-5,8-9,14-16H,1-2,6-7,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=198.342 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.17916	SlogP: 4.6174	Reactive groups: 0

Topological Properties
Globularity: 0.15289	Sterimol/B1: 2.66279	Sterimol/B2: 3.29362	Sterimol/B3: 6.06424
Sterimol/B4: 7.82668	Sterimol/L: 16.6446

Surface and Volume Properties
Accessible surface: 604.904	Positive charged surface: 422.8	Negative charged surface: 178.19	Volume: 372.5
Hydrophobic surface: 537.689	Hydrophilic surface: 67.215

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.