MMsINC Database Search


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MMsINC code: MMs03236412

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

OC(CCCCCC)CCNC(=O)c1ccccc1

InChI:

InChI=1/C16H25NO2/c1-2-3-4-8-11-15(18)12-13-17-16(19)14-9-6-5-7-10-14/h5-7,9-10,15,18H,2-4,8,11-13H2,1H3,(H,17,19)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.5999 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -4.1201	SlogP: 3.1378	Reactive groups: 0

Topological Properties
Globularity: 0.0165203	Sterimol/B1: 2.43531	Sterimol/B2: 3.63539	Sterimol/B3: 4.02792
Sterimol/B4: 4.2513	Sterimol/L: 20.7998

Surface and Volume Properties
Accessible surface: 578.079	Positive charged surface: 407.46	Negative charged surface: 170.618	Volume: 287.875
Hydrophobic surface: 474.32	Hydrophilic surface: 103.759

Pharmacophoric Properties
Hydrogen bond donors: 2	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.