MMsINC Database Search


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MMsINC code: MMs02907089

Type: Neutral
Formula: C₁₈H₂₄N₄O₄

SMILES:

O=C1NC(=O)N(CCCOC)C(NC(=O)CNc2ccc(cc2)CC)=C1

InChI:

InChI=1/C18H24N4O4/c1-3-13-5-7-14(8-6-13)19-12-17(24)20-15-11-16(23)21-18(25)22(15)9-4-10-26-2/h5-8,11,19H,3-4,9-10,12H2,1-2H3,(H,20,24)(H,21,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4009 kcal/mol

Physical Properties
Molecular Weight: 360.414 g/mol	logS: -3.75874	SlogP: 1.20677	Reactive groups: 0

Topological Properties
Globularity: 0.0458012	Sterimol/B1: 2.47312	Sterimol/B2: 4.48498	Sterimol/B3: 6.77958
Sterimol/B4: 6.83537	Sterimol/L: 17.9048

Surface and Volume Properties
Accessible surface: 669.827	Positive charged surface: 459.57	Negative charged surface: 210.257	Volume: 346.875
Hydrophobic surface: 458.282	Hydrophilic surface: 211.545

Pharmacophoric Properties
Hydrogen bond donors: 3	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.