MMsINC Database Search


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MMsINC code: MMs02659406

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCC(CC1)C

InChI:

InChI=1/C19H26N2O3/c1-15-9-12-20(13-10-15)18(22)17-8-5-11-21(17)19(23)24-14-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2905 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -3.39017	SlogP: 3.3125	Reactive groups: 0

Topological Properties
Globularity: 0.0742829	Sterimol/B1: 2.15353	Sterimol/B2: 2.88432	Sterimol/B3: 4.75191
Sterimol/B4: 8.17861	Sterimol/L: 18.055

Surface and Volume Properties
Accessible surface: 623.493	Positive charged surface: 445.687	Negative charged surface: 177.807	Volume: 332.5
Hydrophobic surface: 550.278	Hydrophilic surface: 73.215

Pharmacophoric Properties
Hydrogen bond donors: 0	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.