MMsINC Database Search


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MMsINC code: MMs00617544

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1cc(ccc1)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C15H14FNO2/c1-19-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8645 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.64427	SlogP: 3.0307	Reactive groups: 0

Topological Properties
Globularity: 0.0596801	Sterimol/B1: 3.06587	Sterimol/B2: 3.44803	Sterimol/B3: 4.46922
Sterimol/B4: 5.47424	Sterimol/L: 16.3224

Surface and Volume Properties
Accessible surface: 504.351	Positive charged surface: 300.487	Negative charged surface: 203.863	Volume: 247.375
Hydrophobic surface: 447.053	Hydrophilic surface: 57.298

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.