MMsINC Database Search


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MMsINC code: MMs01232265

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1cc(F)ccc1NC(=O)Cc1ccccc1

InChI:

InChI=1/C14H11F2NO/c15-11-6-7-13(12(16)9-11)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5734 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.0063	SlogP: 3.14597	Reactive groups: 0

Topological Properties
Globularity: 0.0840041	Sterimol/B1: 3.4069	Sterimol/B2: 3.41023	Sterimol/B3: 4.14305
Sterimol/B4: 4.76846	Sterimol/L: 14.3154

Surface and Volume Properties
Accessible surface: 458.82	Positive charged surface: 238.52	Negative charged surface: 220.3	Volume: 224
Hydrophobic surface: 422.828	Hydrophilic surface: 35.992

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.