MMsINC Database Search


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MMsINC code: MMs01123590

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

o1c(C)c(cc1C)C(=O)N1CCCCC1C(=O)NC(C)C

InChI:

InChI=1/C16H24N2O3/c1-10(2)17-15(19)14-7-5-6-8-18(14)16(20)13-9-11(3)21-12(13)4/h9-10,14H,5-8H2,1-4H3,(H,17,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.85 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -3.23159	SlogP: 2.41574	Reactive groups: 0

Topological Properties
Globularity: 0.141359	Sterimol/B1: 2.45888	Sterimol/B2: 3.674	Sterimol/B3: 5.6597
Sterimol/B4: 7.2729	Sterimol/L: 14.931

Surface and Volume Properties
Accessible surface: 552.819	Positive charged surface: 383.754	Negative charged surface: 169.065	Volume: 295.875
Hydrophobic surface: 467.242	Hydrophilic surface: 85.577

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.