MMsINC Database Search


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MMsINC code: MMs01635743

Type: Neutral
Formula: C₁₈H₁₄FNO

SMILES:

Fc1cc(NC(=O)c2cc3c(cc2)cccc3)ccc1C

InChI:

InChI=1/C18H14FNO/c1-12-6-9-16(11-17(12)19)20-18(21)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7904 kcal/mol

Physical Properties
Molecular Weight: 279.314 g/mol	logS: -5.6882	SlogP: 4.53962	Reactive groups: 0

Topological Properties
Globularity: 0.0107098	Sterimol/B1: 2.41198	Sterimol/B2: 2.83835	Sterimol/B3: 3.69249
Sterimol/B4: 4.66878	Sterimol/L: 17.4113

Surface and Volume Properties
Accessible surface: 521.278	Positive charged surface: 269.529	Negative charged surface: 242.53	Volume: 270
Hydrophobic surface: 483.108	Hydrophilic surface: 38.17

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.