MMsINC Database Search


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MMsINC code: MMs00488125

Type: Neutral
Formula: C₁₇H₁₂ClFN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(F)ccc1

InChI:

InChI=1/C17H12ClFN2O2/c1-10-15(17(22)20-12-6-4-5-11(19)9-12)16(21-23-10)13-7-2-3-8-14(13)18/h2-9H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7059 kcal/mol

Physical Properties
Molecular Weight: 330.746 g/mol	logS: -5.73906	SlogP: 4.69482	Reactive groups: 0

Topological Properties
Globularity: 0.143278	Sterimol/B1: 2.40474	Sterimol/B2: 3.79511	Sterimol/B3: 4.01381
Sterimol/B4: 9.68989	Sterimol/L: 13.1011

Surface and Volume Properties
Accessible surface: 541.201	Positive charged surface: 238.793	Negative charged surface: 302.408	Volume: 288.375
Hydrophobic surface: 492.272	Hydrophilic surface: 48.929

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.