MMsINC Database Search


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MMsINC code: MMs02819024

Type: Neutral
Formula: C₂₅H₂₆N₄O₆

SMILES:

O(C)c1c(OC)cc(cc1OC)-c1nc2c(nc1-c1cc(OC)c(OC)c(OC)c1)cncc2N

InChI:

InChI=1/C25H26N4O6/c1-30-17-7-13(8-18(31-2)24(17)34-5)21-22(29-23-15(26)11-27-12-16(23)28-21)14-9-19(32-3)25(35-6)20(10-14)33-4/h7-12H,26H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=283.69 kcal/mol

Physical Properties
Molecular Weight: 478.505 g/mol	logS: -4.23946	SlogP: 3.9926	Reactive groups: 0

Topological Properties
Globularity: 0.162087	Sterimol/B1: 2.96503	Sterimol/B2: 3.82438	Sterimol/B3: 5.5598
Sterimol/B4: 11.284	Sterimol/L: 15.6046

Surface and Volume Properties
Accessible surface: 725.385	Positive charged surface: 626.988	Negative charged surface: 92.8213	Volume: 440.25
Hydrophobic surface: 586.028	Hydrophilic surface: 139.357

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 9	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: 0

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Ions/Tautomers related molecules: no related molecules available.