MMsINC Database Search


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MMsINC code: MMs03667454

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

OCCN(C(=O)c1cc(ccc1)C)CCNC(=O)c1cc(ccc1)C

InChI:

InChI=1/C20H24N2O3/c1-15-5-3-7-17(13-15)19(24)21-9-10-22(11-12-23)20(25)18-8-4-6-16(2)14-18/h3-8,13-14,23H,9-12H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.934 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.11079	SlogP: 2.16794	Reactive groups: 0

Topological Properties
Globularity: 0.0803928	Sterimol/B1: 2.74542	Sterimol/B2: 5.01931	Sterimol/B3: 5.25759
Sterimol/B4: 6.8361	Sterimol/L: 16.2769

Surface and Volume Properties
Accessible surface: 612.017	Positive charged surface: 387.119	Negative charged surface: 224.898	Volume: 343.75
Hydrophobic surface: 507.352	Hydrophilic surface: 104.665

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.