MMsINC Database Search


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MMsINC code: MMs01365266

Type: Neutral
Formula: C₁₈H₁₂ClFO₃

SMILES:

Clc1cccc(F)c1COC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C18H12ClFO3/c19-15-6-3-7-16(20)14(15)10-23-18(22)13-8-11-4-1-2-5-12(11)9-17(13)21/h1-9,21H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0632 kcal/mol

Physical Properties
Molecular Weight: 330.742 g/mol	logS: -6.07971	SlogP: 4.9613	Reactive groups: 0

Topological Properties
Globularity: 0.057013	Sterimol/B1: 2.55018	Sterimol/B2: 3.97673	Sterimol/B3: 4.62179
Sterimol/B4: 7.74653	Sterimol/L: 15.5497

Surface and Volume Properties
Accessible surface: 548.967	Positive charged surface: 256.377	Negative charged surface: 281.518	Volume: 289.5
Hydrophobic surface: 473.302	Hydrophilic surface: 75.665

Pharmacophoric Properties
Hydrogen bond donors: 1	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.