MMsINC Database Search


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MMsINC code: MMs02105700

Type: Neutral
Formula: C₁₈H₁₁F₂NO

SMILES:

Fc1ccc(cc1)-c1ncc(cc1)C(=O)c1ccc(F)cc1

InChI:

InChI=1/C18H11F2NO/c19-15-6-1-12(2-7-15)17-10-5-14(11-21-17)18(22)13-3-8-16(20)9-4-13/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.108 kcal/mol

Physical Properties
Molecular Weight: 295.288 g/mol	logS: -5.18469	SlogP: 4.2578	Reactive groups: 0

Topological Properties
Globularity: 0.0171611	Sterimol/B1: 2.36172	Sterimol/B2: 3.14623	Sterimol/B3: 3.47287
Sterimol/B4: 5.14109	Sterimol/L: 16.8957

Surface and Volume Properties
Accessible surface: 505.755	Positive charged surface: 246.321	Negative charged surface: 254.145	Volume: 266.125
Hydrophobic surface: 456.239	Hydrophilic surface: 49.516

Pharmacophoric Properties
Hydrogen bond donors: 0	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.