MMsINC Database Search


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MMsINC code: MMs02216735

Type: Neutral
Formula: C₁₅H₁₂FNO

SMILES:

Fc1cc2Cc3cc(NC(=O)C)ccc3-c2cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2911 kcal/mol

Physical Properties
Molecular Weight: 241.265 g/mol	logS: -4.78657	SlogP: 3.35527	Reactive groups: 0

Topological Properties
Globularity: 0.0138539	Sterimol/B1: 2.38067	Sterimol/B2: 2.65423	Sterimol/B3: 3.93748
Sterimol/B4: 4.00806	Sterimol/L: 15.5541

Surface and Volume Properties
Accessible surface: 457.48	Positive charged surface: 251.736	Negative charged surface: 194.251	Volume: 228.875
Hydrophobic surface: 405.74	Hydrophilic surface: 51.74

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.