MMsINC Database Search


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MMsINC code: MMs03277028

Type: Neutral
Formula: C₁₉H₃₁NO₂

SMILES:

O(CC)c1ccc(cc1)C(=O)N(CCCCC)CCCCC

InChI:

InChI=1/C19H31NO2/c1-4-7-9-15-20(16-10-8-5-2)19(21)17-11-13-18(14-12-17)22-6-3/h11-14H,4-10,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1908 kcal/mol

Physical Properties
Molecular Weight: 305.462 g/mol	logS: -4.92145	SlogP: 4.9079	Reactive groups: 0

Topological Properties
Globularity: 0.0406131	Sterimol/B1: 2.85439	Sterimol/B2: 3.75298	Sterimol/B3: 4.96728
Sterimol/B4: 7.98448	Sterimol/L: 18.7989

Surface and Volume Properties
Accessible surface: 640.029	Positive charged surface: 468.564	Negative charged surface: 171.465	Volume: 340.125
Hydrophobic surface: 536.591	Hydrophilic surface: 103.438

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.