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MMsINC code: MMs00426746

Type: Neutral
Formula: C₁₄H₁₉N₃O₃

SMILES:

O=C(NNC(=O)C(=O)NC(C)C)CCc1ccccc1

InChI:

InChI=1/C14H19N3O3/c1-10(2)15-13(19)14(20)17-16-12(18)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,19)(H,16,18)(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2013 kcal/mol

Physical Properties
Molecular Weight: 277.324 g/mol	logS: -2.58588	SlogP: 0.29117	Reactive groups: 0

Topological Properties
Globularity: 0.0296172	Sterimol/B1: 2.24723	Sterimol/B2: 2.96815	Sterimol/B3: 3.52309
Sterimol/B4: 4.95853	Sterimol/L: 19.5071

Surface and Volume Properties
Accessible surface: 563.981	Positive charged surface: 350.681	Negative charged surface: 213.3	Volume: 273.625
Hydrophobic surface: 362.369	Hydrophilic surface: 201.612

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.