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MMsINC code: MMs01309347

Type: Neutral
Formula: C₁₅H₁₀ClFO₂

SMILES:

Clc1ccc(cc1)\C=C(\C(O)=O)/c1ccc(F)cc1

InChI:

InChI=1/C15H10ClFO2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-9H,(H,18,19)/b14-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2154 kcal/mol

Physical Properties
Molecular Weight: 276.694 g/mol	logS: -4.66686	SlogP: 4.1043	Reactive groups: 0

Topological Properties
Globularity: 0.183139	Sterimol/B1: 3.51803	Sterimol/B2: 3.66376	Sterimol/B3: 3.81245
Sterimol/B4: 7.02598	Sterimol/L: 12.518

Surface and Volume Properties
Accessible surface: 464.389	Positive charged surface: 211.678	Negative charged surface: 252.712	Volume: 241.75
Hydrophobic surface: 374.438	Hydrophilic surface: 89.951

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01309348
ENAMINE-ZINC03215145