MMsINC Database Search


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MMsINC code: MMs00695528

Type: Neutral
Formula: C₁₄H₁₃FN₂O

SMILES:

Fc1ccccc1NC(=O)N(C)c1ccccc1

InChI:

InChI=1/C14H13FN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h2-10H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.508 kcal/mol

Physical Properties
Molecular Weight: 244.269 g/mol	logS: -3.44104	SlogP: 3.494	Reactive groups: 0

Topological Properties
Globularity: 0.0569006	Sterimol/B1: 2.1121	Sterimol/B2: 2.22764	Sterimol/B3: 4.28441
Sterimol/B4: 6.5042	Sterimol/L: 14.4029

Surface and Volume Properties
Accessible surface: 462.803	Positive charged surface: 271.529	Negative charged surface: 191.274	Volume: 232.625
Hydrophobic surface: 435.81	Hydrophilic surface: 26.993

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

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Ions/Tautomers related molecules: no related molecules available.