MMsINC Database Search


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MMsINC code: MMs01569815

Type: Neutral
Formula: C₁₆H₁₅ClO₅

SMILES:

Clc1ccccc1OCCOC(=O)c1cc(OC)ccc1O

InChI:

InChI=1/C16H15ClO5/c1-20-11-6-7-14(18)12(10-11)16(19)22-9-8-21-15-5-3-2-4-13(15)17/h2-7,10,18H,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6527 kcal/mol

Physical Properties
Molecular Weight: 322.744 g/mol	logS: -4.03405	SlogP: 3.29	Reactive groups: 0

Topological Properties
Globularity: 0.0487101	Sterimol/B1: 2.50924	Sterimol/B2: 2.73645	Sterimol/B3: 5.25386
Sterimol/B4: 8.08662	Sterimol/L: 15.7085

Surface and Volume Properties
Accessible surface: 573.075	Positive charged surface: 350.402	Negative charged surface: 222.673	Volume: 286.625
Hydrophobic surface: 489.779	Hydrophilic surface: 83.296

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.