MMsINC Database Search


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MMsINC code: MMs00269056

Type: Neutral
Formula: C₂₃H₂₆N₂O₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2cc(ccc2NC1=O)C)CCOC

InChI:

InChI=1/C23H26N2O5/c1-15-5-7-19-17(11-15)12-18(22(26)24-19)14-25(9-10-28-2)23(27)16-6-8-20(29-3)21(13-16)30-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.546 kcal/mol

Physical Properties
Molecular Weight: 410.47 g/mol	logS: -4.77658	SlogP: 3.13652	Reactive groups: 0

Topological Properties
Globularity: 0.144705	Sterimol/B1: 2.72536	Sterimol/B2: 2.98388	Sterimol/B3: 6.90843
Sterimol/B4: 7.73424	Sterimol/L: 17.9718

Surface and Volume Properties
Accessible surface: 685.794	Positive charged surface: 516.369	Negative charged surface: 169.425	Volume: 393
Hydrophobic surface: 584.756	Hydrophilic surface: 101.038

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.