MMsINC Database Search


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MMsINC code: MMs01525089

Type: Neutral
Formula: C₂₀H₁₁ClF₂O₃

SMILES:

Clc1cc(F)ccc1C(Oc1ccc(cc1)C(=O)c1ccc(F)cc1)=O

InChI:

InChI=1/C20H11ClF2O3/c21-18-11-15(23)7-10-17(18)20(25)26-16-8-3-13(4-9-16)19(24)12-1-5-14(22)6-2-12/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.644 kcal/mol

Physical Properties
Molecular Weight: 372.754 g/mol	logS: -6.896	SlogP: 5.0684	Reactive groups: 0

Topological Properties
Globularity: 0.0336114	Sterimol/B1: 2.16791	Sterimol/B2: 2.57617	Sterimol/B3: 5.07785
Sterimol/B4: 6.13384	Sterimol/L: 18.7766

Surface and Volume Properties
Accessible surface: 593.669	Positive charged surface: 253.644	Negative charged surface: 340.025	Volume: 312.375
Hydrophobic surface: 536.093	Hydrophilic surface: 57.576

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

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Ions/Tautomers related molecules: no related molecules available.