MMsINC Database Search


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MMsINC code: MMs00730535

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCc1ccccc1F

InChI:

InChI=1/C18H14ClFN2O2/c1-11-16(17(22-24-11)13-7-3-4-8-14(13)19)18(23)21-10-12-6-2-5-9-15(12)20/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)=63.6372 kcal/mol

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

Topological Properties
Globularity: 0.151353	Sterimol/B1: 2.37722	Sterimol/B2: 4.24749	Sterimol/B3: 4.55169
Sterimol/B4: 9.85275	Sterimol/L: 13.0884

Surface and Volume Properties
Accessible surface: 567.701	Positive charged surface: 268.553	Negative charged surface: 299.148	Volume: 304.75
Hydrophobic surface: 512.312	Hydrophilic surface: 55.389

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.