MMsINC Database Search


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MMsINC code: MMs02914306

Type: Neutral
Formula: C₁₆H₂₃NO₃

SMILES:

O(C)c1cccc(OC)c1C(=O)NC1CCCCCC1

InChI:

InChI=1/C16H23NO3/c1-19-13-10-7-11-14(20-2)15(13)16(18)17-12-8-5-3-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7073 kcal/mol

Physical Properties
Molecular Weight: 277.364 g/mol	logS: -3.61813	SlogP: 3.1564	Reactive groups: 0

Topological Properties
Globularity: 0.0680975	Sterimol/B1: 2.27925	Sterimol/B2: 3.13938	Sterimol/B3: 3.80105
Sterimol/B4: 9.49909	Sterimol/L: 14.3815

Surface and Volume Properties
Accessible surface: 538.317	Positive charged surface: 420.276	Negative charged surface: 118.041	Volume: 281.625
Hydrophobic surface: 496.107	Hydrophilic surface: 42.21

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.