MMsINC Database Search


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MMsINC code: MMs00767751

Type: Neutral
Formula: C₁₇H₁₁ClFNO

SMILES:

Clc1cccc(F)c1\C=C\c1nc2c(cc1)cccc2O

InChI:

InChI=1/C17H11ClFNO/c18-14-4-2-5-15(19)13(14)10-9-12-8-7-11-3-1-6-16(21)17(11)20-12/h1-10,21H/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6238 kcal/mol

Physical Properties
Molecular Weight: 299.732 g/mol	logS: -5.04094	SlogP: 4.9033	Reactive groups: 0

Topological Properties
Globularity: 0.0269071	Sterimol/B1: 2.98365	Sterimol/B2: 3.56849	Sterimol/B3: 4.09686
Sterimol/B4: 4.83619	Sterimol/L: 16.2823

Surface and Volume Properties
Accessible surface: 516.405	Positive charged surface: 248.139	Negative charged surface: 262.731	Volume: 268.875
Hydrophobic surface: 450.532	Hydrophilic surface: 65.873

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.