MMsINC Database Search


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MMsINC code: MMs02252245

Type: Neutral
Formula: C₁₅H₁₂FNO

SMILES:

Fc1c2Cc3c(-c2ccc1NC(=O)C)cccc3

InChI:

InChI=1/C15H12FNO/c1-9(18)17-14-7-6-12-11-5-3-2-4-10(11)8-13(12)15(14)16/h2-7H,8H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7707 kcal/mol

Physical Properties
Molecular Weight: 241.265 g/mol	logS: -4.47312	SlogP: 3.35527	Reactive groups: 0

Topological Properties
Globularity: 0.0138044	Sterimol/B1: 2.24341	Sterimol/B2: 2.64649	Sterimol/B3: 3.9835
Sterimol/B4: 3.99546	Sterimol/L: 15.2401

Surface and Volume Properties
Accessible surface: 445.965	Positive charged surface: 253.978	Negative charged surface: 181.794	Volume: 228
Hydrophobic surface: 397.278	Hydrophilic surface: 48.687

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.