MMsINC Database Search


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MMsINC code: MMs01228975

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C15H14FNO/c1-2-11-6-3-4-9-14(11)17-15(18)12-7-5-8-13(16)10-12/h3-10H,2H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9516 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -4.32554	SlogP: 3.64037	Reactive groups: 0

Topological Properties
Globularity: 0.0336114	Sterimol/B1: 2.20257	Sterimol/B2: 2.50067	Sterimol/B3: 3.43657
Sterimol/B4: 7.37647	Sterimol/L: 14.0041

Surface and Volume Properties
Accessible surface: 465.091	Positive charged surface: 245.426	Negative charged surface: 219.665	Volume: 237.5
Hydrophobic surface: 415.438	Hydrophilic surface: 49.653

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.