MMsINC Database Search


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MMsINC code: MMs01902289

Type: Neutral
Formula: C₁₈H₃₀N₂O₂

SMILES:

OC(CCCCC)(CCCCC)C(=O)NNc1ccccc1

InChI:

InChI=1/C18H30N2O2/c1-3-5-10-14-18(22,15-11-6-4-2)17(21)20-19-16-12-8-7-9-13-16/h7-9,12-13,19,22H,3-6,10-11,14-15H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1138 kcal/mol

Physical Properties
Molecular Weight: 306.45 g/mol	logS: -5.231	SlogP: 4.0214	Reactive groups: 0

Topological Properties
Globularity: 0.0632383	Sterimol/B1: 3.57297	Sterimol/B2: 3.62249	Sterimol/B3: 3.83234
Sterimol/B4: 8.2891	Sterimol/L: 18.2538

Surface and Volume Properties
Accessible surface: 630.939	Positive charged surface: 443.265	Negative charged surface: 187.674	Volume: 332.75
Hydrophobic surface: 510.724	Hydrophilic surface: 120.215

Pharmacophoric Properties
Hydrogen bond donors: 3	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.