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MMsINC code: MMs01314328

Type: Neutral
Formula: C₁₈H₂₆N₂O₂

SMILES:

O=C(NC(C(C)C)C(=O)N1CCCCCC1)c1ccccc1

InChI:

InChI=1/C18H26N2O2/c1-14(2)16(18(22)20-12-8-3-4-9-13-20)19-17(21)15-10-6-5-7-11-15/h5-7,10-11,14,16H,3-4,8-9,12-13H2,1-2H3,(H,19,21)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3781 kcal/mol

Physical Properties
Molecular Weight: 302.418 g/mol	logS: -3.28426	SlogP: 2.8436	Reactive groups: 0

Topological Properties
Globularity: 0.137422	Sterimol/B1: 2.57399	Sterimol/B2: 3.87381	Sterimol/B3: 4.0674
Sterimol/B4: 7.75242	Sterimol/L: 14.8151

Surface and Volume Properties
Accessible surface: 547.665	Positive charged surface: 360.985	Negative charged surface: 186.68	Volume: 311.125
Hydrophobic surface: 472.038	Hydrophilic surface: 75.627

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.