MMsINC Database Search


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MMsINC code: MMs00712887

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C18H14ClFN2O2/c1-11-16(17(22-24-11)14-4-2-3-5-15(14)19)18(23)21-10-12-6-8-13(20)9-7-12/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5643 kcal/mol

Physical Properties
Molecular Weight: 344.773 g/mol	logS: -5.6831	SlogP: 4.63892	Reactive groups: 0

Topological Properties
Globularity: 0.152214	Sterimol/B1: 2.36777	Sterimol/B2: 4.18032	Sterimol/B3: 4.71197
Sterimol/B4: 9.92581	Sterimol/L: 12.9864

Surface and Volume Properties
Accessible surface: 575.138	Positive charged surface: 264.973	Negative charged surface: 310.165	Volume: 307
Hydrophobic surface: 519.021	Hydrophilic surface: 56.117

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.