MMsINC Database Search


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MMsINC code: MMs01949474

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1ccccc1N(CC1=Cc2cc(OC)ccc2NC1=O)C(=O)CCCC

InChI:

InChI=1/C23H26N2O4/c1-4-5-10-22(26)25(20-8-6-7-9-21(20)29-3)15-17-13-16-14-18(28-2)11-12-19(16)24-23(17)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.661 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -5.45555	SlogP: 4.2627	Reactive groups: 0

Topological Properties
Globularity: 0.131501	Sterimol/B1: 2.45259	Sterimol/B2: 2.95364	Sterimol/B3: 6.06415
Sterimol/B4: 8.9453	Sterimol/L: 18.123

Surface and Volume Properties
Accessible surface: 654.912	Positive charged surface: 479.822	Negative charged surface: 175.09	Volume: 387.375
Hydrophobic surface: 544.498	Hydrophilic surface: 110.414

Pharmacophoric Properties
Hydrogen bond donors: 1	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.