MMsINC Database Search


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MMsINC code: MMs02246183

Type: Neutral
Formula: C₁₅H₂₃N₃O₂

SMILES:

O=C(N(CC)CC)c1nc(ccc1)C(=O)N(CC)CC

InChI:

InChI=1/C15H23N3O2/c1-5-17(6-2)14(19)12-10-9-11-13(16-12)15(20)18(7-3)8-4/h9-11H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=193.4 kcal/mol

Physical Properties
Molecular Weight: 277.368 g/mol	logS: -1.8217	SlogP: 2.0456	Reactive groups: 0

Topological Properties
Globularity: 0.0646547	Sterimol/B1: 2.36903	Sterimol/B2: 3.896	Sterimol/B3: 4.73566
Sterimol/B4: 5.48263	Sterimol/L: 14.3885

Surface and Volume Properties
Accessible surface: 507.572	Positive charged surface: 357.374	Negative charged surface: 150.197	Volume: 285.125
Hydrophobic surface: 372.727	Hydrophilic surface: 134.845

Pharmacophoric Properties
Hydrogen bond donors: 0	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.