MMsINC Database Search


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MMsINC code: MMs00915051

Type: Neutral
Formula: C₂₀H₁₃ClFNO₂

SMILES:

Clc1cccc(F)c1Cn1cc(c2c1cccc2)C(=O)c1occc1

InChI:

InChI=1/C20H13ClFNO2/c21-16-6-3-7-17(22)15(16)12-23-11-14(13-5-1-2-8-18(13)23)20(24)19-9-4-10-25-19/h1-11H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2744 kcal/mol

Physical Properties
Molecular Weight: 353.78 g/mol	logS: -6.19034	SlogP: 5.5725	Reactive groups: 0

Topological Properties
Globularity: 0.0904885	Sterimol/B1: 3.94355	Sterimol/B2: 4.64035	Sterimol/B3: 4.91333
Sterimol/B4: 6.18363	Sterimol/L: 13.6995

Surface and Volume Properties
Accessible surface: 547.775	Positive charged surface: 246.822	Negative charged surface: 295.11	Volume: 314.625
Hydrophobic surface: 505.273	Hydrophilic surface: 42.502

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.