MMsINC Database Search


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MMsINC code: MMs01524871

Type: Neutral
Formula: C₁₅H₁₃F₂NO

SMILES:

Fc1ccc(cc1)C(NC(=O)c1ccc(F)cc1)C

InChI:

InChI=1/C15H13F2NO/c1-10(11-2-6-13(16)7-3-11)18-15(19)12-4-8-14(17)9-5-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5838 kcal/mol

Physical Properties
Molecular Weight: 261.271 g/mol	logS: -4.21608	SlogP: 3.5513	Reactive groups: 0

Topological Properties
Globularity: 0.0708158	Sterimol/B1: 2.17267	Sterimol/B2: 2.30212	Sterimol/B3: 4.6546
Sterimol/B4: 6.23031	Sterimol/L: 14.5045

Surface and Volume Properties
Accessible surface: 476.113	Positive charged surface: 230.434	Negative charged surface: 245.679	Volume: 241.375
Hydrophobic surface: 422.625	Hydrophilic surface: 53.488

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.