MMsINC Database Search


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MMsINC code: MMs03002133

Type: Neutral
Formula: C₁₈H₁₄FNO

SMILES:

Fc1c2c(cccc2)c(cc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C18H14FNO/c1-12-6-2-5-9-17(12)20-18(21)15-10-11-16(19)14-8-4-3-7-13(14)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)=95.2565 kcal/mol

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

Topological Properties
Globularity: 0.0237645	Sterimol/B1: 2.22989	Sterimol/B2: 3.08838	Sterimol/B3: 3.4769
Sterimol/B4: 6.76799	Sterimol/L: 14.6643

Surface and Volume Properties
Accessible surface: 495.787	Positive charged surface: 256.637	Negative charged surface: 229.43	Volume: 268.5
Hydrophobic surface: 476.644	Hydrophilic surface: 19.143

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.