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MMsINC code: MMs01659849

Type: Neutral
Formula: C₁₉H₃₀N₄O₂

SMILES:

O=C(N1CCN(CC1)c1cccc(C)c1C)C(NC(=O)N)C(CC)C

InChI:

InChI=1/C19H30N4O2/c1-5-13(2)17(21-19(20)25)18(24)23-11-9-22(10-12-23)16-8-6-7-14(3)15(16)4/h6-8,13,17H,5,9-12H2,1-4H3,(H3,20,21,25)/t13-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.393 kcal/mol

Physical Properties
Molecular Weight: 346.475 g/mol	logS: -3.52785	SlogP: 2.03504	Reactive groups: 0

Topological Properties
Globularity: 0.0811266	Sterimol/B1: 2.13923	Sterimol/B2: 4.11328	Sterimol/B3: 4.35361
Sterimol/B4: 7.72589	Sterimol/L: 16.7183

Surface and Volume Properties
Accessible surface: 616.63	Positive charged surface: 432.209	Negative charged surface: 184.421	Volume: 353.125
Hydrophobic surface: 439.28	Hydrophilic surface: 177.35

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.