MMsINC Database Search


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MMsINC code: MMs01921287

Type: Neutral
Formula: C₁₅H₁₀ClFO₂

SMILES:

Clc1cccc(F)c1\C=C\C(=O)c1ccc(O)cc1

InChI:

InChI=1/C15H10ClFO2/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9,18H/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5734 kcal/mol

Physical Properties
Molecular Weight: 276.694 g/mol	logS: -4.63083	SlogP: 4.0808	Reactive groups: 1

Topological Properties
Globularity: 0.0355155	Sterimol/B1: 2.77161	Sterimol/B2: 3.06216	Sterimol/B3: 4.05316
Sterimol/B4: 5.11046	Sterimol/L: 15.1622

Surface and Volume Properties
Accessible surface: 476.246	Positive charged surface: 217.768	Negative charged surface: 258.478	Volume: 243.5
Hydrophobic surface: 390.778	Hydrophilic surface: 85.468

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.