MMsINC Database Search


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MMsINC code: MMs02868419

Type: Neutral
Formula: C₁₄H₁₈O₄

SMILES:

O(C(=O)CCCCC)c1ccccc1C(OC)=O

InChI:

InChI=1/C14H18O4/c1-3-4-5-10-13(15)18-12-9-7-6-8-11(12)14(16)17-2/h6-9H,3-5,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.993 kcal/mol

Physical Properties
Molecular Weight: 250.294 g/mol	logS: -3.86756	SlogP: 2.9589	Reactive groups: 0

Topological Properties
Globularity: 0.0448018	Sterimol/B1: 2.68548	Sterimol/B2: 3.2091	Sterimol/B3: 5.41608
Sterimol/B4: 5.67999	Sterimol/L: 15.5397

Surface and Volume Properties
Accessible surface: 520.427	Positive charged surface: 373.358	Negative charged surface: 147.07	Volume: 251.875
Hydrophobic surface: 445.583	Hydrophilic surface: 74.844

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.