MMsINC Database Search


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MMsINC code: MMs01506104

Type: Neutral
Formula: C₂₁H₂₆N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)CC(=O)N(CC(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C21H26N2O5/c1-14-6-8-16(9-7-14)22-19(24)13-23(2)20(25)12-15-10-17(26-3)21(28-5)18(11-15)27-4/h6-11H,12-13H2,1-5H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.806 kcal/mol

Physical Properties
Molecular Weight: 386.448 g/mol	logS: -4.10798	SlogP: 2.66039	Reactive groups: 0

Topological Properties
Globularity: 0.059427	Sterimol/B1: 3.38673	Sterimol/B2: 3.67537	Sterimol/B3: 4.50582
Sterimol/B4: 7.97476	Sterimol/L: 18.7265

Surface and Volume Properties
Accessible surface: 711.466	Positive charged surface: 556.087	Negative charged surface: 155.379	Volume: 378.75
Hydrophobic surface: 626.077	Hydrophilic surface: 85.389

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.