MMsINC Database Search


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MMsINC code: MMs01179973

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O1CCOc2c1cc(cc2)C(=O)N(Cc1cccnc1)CCCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c27-24(21-10-11-22-23(16-21)29-15-14-28-22)26(18-20-8-4-12-25-17-20)13-5-9-19-6-2-1-3-7-19/h1-4,6-8,10-12,16-17H,5,9,13-15,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.106 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -4.21552	SlogP: 4.39437	Reactive groups: 0

Topological Properties
Globularity: 0.0712192	Sterimol/B1: 3.08193	Sterimol/B2: 3.80975	Sterimol/B3: 3.87312
Sterimol/B4: 11.1015	Sterimol/L: 16.5339

Surface and Volume Properties
Accessible surface: 659.377	Positive charged surface: 444.422	Negative charged surface: 214.954	Volume: 383.5
Hydrophobic surface: 592.41	Hydrophilic surface: 66.967

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: 1

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Ions/Tautomers related molecules: no related molecules available.