MMsINC Database Search


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MMsINC code: MMs03851568

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂

SMILES:

Fc1cc(NC(=O)Cn2cc(c3c2cccc3)C=O)c(cc1)C

InChI:

InChI=1/C18H15FN2O2/c1-12-6-7-14(19)8-16(12)20-18(23)10-21-9-13(11-22)15-4-2-3-5-17(15)21/h2-9,11H,10H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6288 kcal/mol

Physical Properties
Molecular Weight: 310.328 g/mol	logS: -4.02678	SlogP: 3.80642	Reactive groups: 1

Topological Properties
Globularity: 0.12549	Sterimol/B1: 2.89969	Sterimol/B2: 3.47909	Sterimol/B3: 5.14637
Sterimol/B4: 6.70767	Sterimol/L: 14.6098

Surface and Volume Properties
Accessible surface: 551.454	Positive charged surface: 298.035	Negative charged surface: 247.1	Volume: 289.125
Hydrophobic surface: 450.713	Hydrophilic surface: 100.741

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.