MMsINC Database Search


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MMsINC code: MMs02704696

Type: Neutral
Formula: C₁₇H₁₂ClFO

SMILES:

Clc1cccc(F)c1COc1cc2c(cc1)cccc2

InChI:

InChI=1/C17H12ClFO/c18-16-6-3-7-17(19)15(16)11-20-14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1615 kcal/mol

Physical Properties
Molecular Weight: 286.733 g/mol	logS: -6.11031	SlogP: 5.4777	Reactive groups: 0

Topological Properties
Globularity: 0.05894	Sterimol/B1: 3.88093	Sterimol/B2: 4.18449	Sterimol/B3: 4.25011
Sterimol/B4: 4.72789	Sterimol/L: 16.2754

Surface and Volume Properties
Accessible surface: 516.804	Positive charged surface: 228.023	Negative charged surface: 277.709	Volume: 262.625
Hydrophobic surface: 507.618	Hydrophilic surface: 9.186

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.