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MMsINC code: MMs01554770

Type: Neutral
Formula: C₁₅H₂₀N₆O₄

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)CC(=O)NC(=O)NC1CCCC1)C

InChI:

InChI=1/C15H20N6O4/c1-19-12-11(13(23)20(2)15(19)25)21(8-16-12)7-10(22)18-14(24)17-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,17,18,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-13.2835 kcal/mol

Physical Properties
Molecular Weight: 348.363 g/mol	logS: -2.04535	SlogP: 0.5597	Reactive groups: 0

Topological Properties
Globularity: 0.0485336	Sterimol/B1: 2.55377	Sterimol/B2: 3.75004	Sterimol/B3: 4.91384
Sterimol/B4: 6.23815	Sterimol/L: 17.8966

Surface and Volume Properties
Accessible surface: 598.352	Positive charged surface: 465.135	Negative charged surface: 133.216	Volume: 309.75
Hydrophobic surface: 423.244	Hydrophilic surface: 175.108

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.