MMsINC Database Search


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MMsINC code: MMs02736046

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1)C(Oc1n(nc(c1)-c1ccccc1)-c1ccc(OC)cc1)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.921 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -6.46005	SlogP: 4.7757	Reactive groups: 0

Topological Properties
Globularity: 0.0187732	Sterimol/B1: 2.53937	Sterimol/B2: 2.55553	Sterimol/B3: 3.53208
Sterimol/B4: 13.4202	Sterimol/L: 17.813

Surface and Volume Properties
Accessible surface: 701.889	Positive charged surface: 423.771	Negative charged surface: 278.118	Volume: 383.5
Hydrophobic surface: 635.421	Hydrophilic surface: 66.468

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.