MMsINC Database Search


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MMsINC code: MMs00739949

Type: Neutral
Formula: C₁₉H₂₄N₄O₄

SMILES:

OCCNC(=O)Nc1ccc(cc1)Cc1ccc(NC(=O)NCCO)cc1

InChI:

InChI=1/C19H24N4O4/c24-11-9-20-18(26)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(27)21-10-12-25/h1-8,24-25H,9-13H2,(H2,20,22,26)(H2,21,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.7744 kcal/mol

Physical Properties
Molecular Weight: 372.425 g/mol	logS: -3.1828	SlogP: 1.50497	Reactive groups: 0

Topological Properties
Globularity: 0.0409462	Sterimol/B1: 3.40314	Sterimol/B2: 3.44769	Sterimol/B3: 4.95544
Sterimol/B4: 6.92382	Sterimol/L: 22.7628

Surface and Volume Properties
Accessible surface: 698.407	Positive charged surface: 505.088	Negative charged surface: 193.318	Volume: 355
Hydrophobic surface: 463.183	Hydrophilic surface: 235.224

Pharmacophoric Properties
Hydrogen bond donors: 6	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.