MMsINC Database Search


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MMsINC code: MMs01429664

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

o1nc(-n2c(C)c(cc2C)C(=O)COc2cc(ccc2)C(=O)C)cc1C

InChI:

InChI=1/C20H20N2O4/c1-12-8-18(14(3)22(12)20-9-13(2)26-21-20)19(24)11-25-17-7-5-6-16(10-17)15(4)23/h5-10H,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.759 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -3.90565	SlogP: 3.85486	Reactive groups: 0

Topological Properties
Globularity: 0.0107754	Sterimol/B1: 2.27313	Sterimol/B2: 2.68112	Sterimol/B3: 3.21452
Sterimol/B4: 6.92622	Sterimol/L: 21.2999

Surface and Volume Properties
Accessible surface: 635.946	Positive charged surface: 345.813	Negative charged surface: 290.133	Volume: 339.625
Hydrophobic surface: 525.179	Hydrophilic surface: 110.767

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.