MMsINC Database Search


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MMsINC code: MMs02816442

Type: Neutral
Formula: C₂₆H₂₆N₂O₄

SMILES:

O(C)c1c(OC)c2c(cc1OC)c(ncc2)Cc1cc(OCc2ccccc2)ccc1N

InChI:

InChI=1/C26H26N2O4/c1-29-24-15-21-20(25(30-2)26(24)31-3)11-12-28-23(21)14-18-13-19(9-10-22(18)27)32-16-17-7-5-4-6-8-17/h4-13,15H,14,16,27H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.646 kcal/mol

Physical Properties
Molecular Weight: 430.504 g/mol	logS: -5.65077	SlogP: 5.27897	Reactive groups: 0

Topological Properties
Globularity: 0.150637	Sterimol/B1: 2.28684	Sterimol/B2: 4.30612	Sterimol/B3: 7.2212
Sterimol/B4: 9.13769	Sterimol/L: 15.9755

Surface and Volume Properties
Accessible surface: 734.521	Positive charged surface: 541.623	Negative charged surface: 182.643	Volume: 422
Hydrophobic surface: 662.878	Hydrophilic surface: 71.643

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.