MMsINC Database Search


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MMsINC code: MMs02476605

Type: Neutral
Formula: C₁₅H₁₉NO₇

SMILES:

O1CCOCCOCCOCCOC(=O)c2cc(cnc2)C1=O

InChI:

InChI=1/C15H19NO7/c17-14-12-9-13(11-16-10-12)15(18)23-8-6-21-4-2-19-1-3-20-5-7-22-14/h9-11H,1-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5538 kcal/mol

Physical Properties
Molecular Weight: 325.317 g/mol	logS: -1.46696	SlogP: 0.4586	Reactive groups: 0

Topological Properties
Globularity: 0.0497525	Sterimol/B1: 2.91827	Sterimol/B2: 3.11732	Sterimol/B3: 5.7773
Sterimol/B4: 6.5025	Sterimol/L: 13.3588

Surface and Volume Properties
Accessible surface: 539.428	Positive charged surface: 450.167	Negative charged surface: 89.2602	Volume: 294.75
Hydrophobic surface: 439.04	Hydrophilic surface: 100.388

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.