MMsINC Database Search


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MMsINC code: MMs01987510

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(NC(=O)N(CCCC)CCCC)c1ccccc1

InChI:

InChI=1/C16H24N2O2/c1-3-5-12-18(13-6-4-2)16(20)17-15(19)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.7492 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -3.74195	SlogP: 3.4386	Reactive groups: 0

Topological Properties
Globularity: 0.063868	Sterimol/B1: 2.4368	Sterimol/B2: 2.63792	Sterimol/B3: 4.08648
Sterimol/B4: 9.09795	Sterimol/L: 16.545

Surface and Volume Properties
Accessible surface: 572.782	Positive charged surface: 375.439	Negative charged surface: 197.343	Volume: 293.125
Hydrophobic surface: 466.381	Hydrophilic surface: 106.401

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.