MMsINC Database Search


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MMsINC code: MMs02091901

Type: Neutral
Formula: C₁₅H₁₀ClFO₂

SMILES:

Clc1cccc(C(=O)\C=C\c2ccc(F)cc2)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5417 kcal/mol

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

Topological Properties
Globularity: 0.00161618	Sterimol/B1: 2.14732	Sterimol/B2: 2.18881	Sterimol/B3: 2.56296
Sterimol/B4: 5.90945	Sterimol/L: 16.1618

Surface and Volume Properties
Accessible surface: 484.659	Positive charged surface: 198.804	Negative charged surface: 285.856	Volume: 244.375
Hydrophobic surface: 418.489	Hydrophilic surface: 66.17

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.