MMsINC Database Search


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MMsINC code: MMs01405036

Type: Neutral
Formula: C₁₅H₁₉NO₄

SMILES:

O(CC(=O)NC1CCCC1)c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C15H19NO4/c1-19-15(18)11-6-8-13(9-7-11)20-10-14(17)16-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4622 kcal/mol

Physical Properties
Molecular Weight: 277.32 g/mol	logS: -2.94548	SlogP: 1.9108	Reactive groups: 0

Topological Properties
Globularity: 0.0237047	Sterimol/B1: 2.55397	Sterimol/B2: 3.11386	Sterimol/B3: 3.69213
Sterimol/B4: 5.90457	Sterimol/L: 18.432

Surface and Volume Properties
Accessible surface: 549.162	Positive charged surface: 391.944	Negative charged surface: 157.218	Volume: 270.625
Hydrophobic surface: 457.282	Hydrophilic surface: 91.88

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.