MMsINC Database Search


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MMsINC code: MMs03480262

Type: Neutral
Formula: C₂₀H₂₀N₄O₄

SMILES:

O=C1c2c(C(=O)c3c1cccc3)c(NC(=O)CNC)ccc2NC(=O)CNC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.379 kcal/mol

Physical Properties
Molecular Weight: 380.404 g/mol	logS: -3.82306	SlogP: 0.7778	Reactive groups: 0

Topological Properties
Globularity: 0.0156611	Sterimol/B1: 2.48447	Sterimol/B2: 2.59639	Sterimol/B3: 2.97866
Sterimol/B4: 10.9692	Sterimol/L: 17.7722

Surface and Volume Properties
Accessible surface: 644.257	Positive charged surface: 465.599	Negative charged surface: 178.658	Volume: 349.75
Hydrophobic surface: 464.949	Hydrophilic surface: 179.308

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.