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MMsINC code: MMs01941479

Type: Neutral
Formula: C₁₈H₂₄N₂O₂

SMILES:

O(C)c1cc2c([nH]c(C(=O)N(C)C3CCCCC3)c2C)cc1

InChI:

InChI=1/C18H24N2O2/c1-12-15-11-14(22-3)9-10-16(15)19-17(12)18(21)20(2)13-7-5-4-6-8-13/h9-11,13,19H,4-8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.424 kcal/mol

Physical Properties
Molecular Weight: 300.402 g/mol	logS: -3.54983	SlogP: 3.88962	Reactive groups: 0

Topological Properties
Globularity: 0.0438503	Sterimol/B1: 2.03365	Sterimol/B2: 3.53816	Sterimol/B3: 3.91863
Sterimol/B4: 6.54813	Sterimol/L: 18.2067

Surface and Volume Properties
Accessible surface: 557.264	Positive charged surface: 402.671	Negative charged surface: 149.747	Volume: 306.125
Hydrophobic surface: 493.129	Hydrophilic surface: 64.135

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.