MMsINC Database Search


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MMsINC code: MMs03509260

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

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

InChI:

InChI=1/C16H25NO2/c1-4-5-6-7-13(2)17-16(18)12-14-8-10-15(19-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,17,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.7418 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -4.04471	SlogP: 3.32267	Reactive groups: 0

Topological Properties
Globularity: 0.0387416	Sterimol/B1: 2.55741	Sterimol/B2: 2.99997	Sterimol/B3: 3.60653
Sterimol/B4: 7.05395	Sterimol/L: 18.6222

Surface and Volume Properties
Accessible surface: 576.364	Positive charged surface: 432.148	Negative charged surface: 144.216	Volume: 288
Hydrophobic surface: 491.153	Hydrophilic surface: 85.211

Pharmacophoric Properties
Hydrogen bond donors: 1	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.