MMsINC Database Search


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MMsINC code: MMs01965281

Type: Neutral
Formula: C₂₀H₂₀N₄O₄

SMILES:

O=C1N(C)C(=O)N(C)C(=C1)CNC(=O)CNC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H20N4O4/c1-23-16(10-18(26)24(2)20(23)28)11-21-17(25)12-22-19(27)15-8-7-13-5-3-4-6-14(13)9-15/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.4983 kcal/mol

Physical Properties
Molecular Weight: 380.404 g/mol	logS: -4.49079	SlogP: 1.0935	Reactive groups: 0

Topological Properties
Globularity: 0.0257617	Sterimol/B1: 2.31961	Sterimol/B2: 3.27085	Sterimol/B3: 4.73949
Sterimol/B4: 5.62471	Sterimol/L: 21.8208

Surface and Volume Properties
Accessible surface: 654.145	Positive charged surface: 400.013	Negative charged surface: 242.226	Volume: 349.875
Hydrophobic surface: 481.015	Hydrophilic surface: 173.13

Pharmacophoric Properties
Hydrogen bond donors: 2	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.