MMsINC Database Search


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MMsINC code: MMs03395513

Type: Neutral
Formula: C₂₄H₃₆N₂O₄

SMILES:

OCCN(C(=O)c1cc(ccc1)C(=O)N(CCO)C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C24H36N2O4/c27-16-14-25(21-10-3-1-4-11-21)23(29)19-8-7-9-20(18-19)24(30)26(15-17-28)22-12-5-2-6-13-22/h7-9,18,21-22,27-28H,1-6,10-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.152 kcal/mol

Physical Properties
Molecular Weight: 416.562 g/mol	logS: -4.00236	SlogP: 3.221	Reactive groups: 0

Topological Properties
Globularity: 0.0512741	Sterimol/B1: 2.55494	Sterimol/B2: 3.04362	Sterimol/B3: 3.96555
Sterimol/B4: 8.58025	Sterimol/L: 18.1454

Surface and Volume Properties
Accessible surface: 681.215	Positive charged surface: 525.227	Negative charged surface: 155.988	Volume: 419
Hydrophobic surface: 574.291	Hydrophilic surface: 106.924

Pharmacophoric Properties
Hydrogen bond donors: 2	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.