MMsINC Database Search


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MMsINC code: MMs03368939

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(c1c2ncccc2ccc1)c1ccc(NC(=O)c2cc(OC)c(OC)cc2)cc1

InChI:

InChI=1/C24H20N2O4/c1-28-20-13-8-17(15-22(20)29-2)24(27)26-18-9-11-19(12-10-18)30-21-7-3-5-16-6-4-14-25-23(16)21/h3-15H,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.453 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.82688	SlogP: 5.2966	Reactive groups: 0

Topological Properties
Globularity: 0.0390719	Sterimol/B1: 2.02175	Sterimol/B2: 4.26738	Sterimol/B3: 4.37523
Sterimol/B4: 7.49314	Sterimol/L: 22.2245

Surface and Volume Properties
Accessible surface: 689.654	Positive charged surface: 461.395	Negative charged surface: 223.386	Volume: 377.375
Hydrophobic surface: 617.802	Hydrophilic surface: 71.852

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.