MMsINC Database Search


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MMsINC code: MMs01838214

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(c1cncnc1-c1ccc(OCc2ccccc2)cc1O)c1ccccc1OC

InChI:

InChI=1/C24H20N2O4/c1-28-21-9-5-6-10-22(21)30-23-14-25-16-26-24(23)19-12-11-18(13-20(19)27)29-15-17-7-3-2-4-8-17/h2-14,16,27H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.138 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.97234	SlogP: 5.4955	Reactive groups: 0

Topological Properties
Globularity: 0.0937437	Sterimol/B1: 2.44243	Sterimol/B2: 2.57047	Sterimol/B3: 7.35545
Sterimol/B4: 8.34011	Sterimol/L: 18.6331

Surface and Volume Properties
Accessible surface: 692.217	Positive charged surface: 449.801	Negative charged surface: 239.148	Volume: 382.25
Hydrophobic surface: 583.2	Hydrophilic surface: 109.017

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.