MMsINC Database Search


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MMsINC code: MMs02992730

Type: Neutral
Formula: C₁₅H₂₃NO₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CCC)CCC

InChI:

InChI=1/C15H23NO3/c1-5-9-16(10-6-2)15(17)12-7-8-13(18-3)14(11-12)19-4/h7-8,11H,5-6,9-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3932 kcal/mol

Physical Properties
Molecular Weight: 265.353 g/mol	logS: -2.58374	SlogP: 2.966	Reactive groups: 0

Topological Properties
Globularity: 0.0586088	Sterimol/B1: 2.93948	Sterimol/B2: 3.35932	Sterimol/B3: 4.52412
Sterimol/B4: 7.29194	Sterimol/L: 14.8821

Surface and Volume Properties
Accessible surface: 527.031	Positive charged surface: 402.995	Negative charged surface: 124.036	Volume: 277.75
Hydrophobic surface: 433.984	Hydrophilic surface: 93.047

Pharmacophoric Properties
Hydrogen bond donors: 0	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.