MMsINC Database Search


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MMsINC code: MMs02668981

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O1CCN(CC1)C(=O)c1ccccc1NC(=O)CC1CCCCC1

InChI:

InChI=1/C19H26N2O3/c22-18(14-15-6-2-1-3-7-15)20-17-9-5-4-8-16(17)19(23)21-10-12-24-13-11-21/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2996 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -4.60178	SlogP: 3.0679	Reactive groups: 0

Topological Properties
Globularity: 0.0521943	Sterimol/B1: 2.59521	Sterimol/B2: 3.20674	Sterimol/B3: 4.14111
Sterimol/B4: 8.68003	Sterimol/L: 16.231

Surface and Volume Properties
Accessible surface: 593.255	Positive charged surface: 450.323	Negative charged surface: 142.932	Volume: 331.5
Hydrophobic surface: 527.573	Hydrophilic surface: 65.682

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.