MMsINC Database Search


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MMsINC code: MMs01307988

Type: Neutral
Formula: C₂₃H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)c1n2-c3c(cccc3)C(=O)N(c2c2c1cccc2)C

InChI:

InChI=1/C23H15FN2O2/c1-25-22-17-7-3-2-6-16(17)20(21(27)14-10-12-15(24)13-11-14)26(22)19-9-5-4-8-18(19)23(25)28/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.673 kcal/mol

Physical Properties
Molecular Weight: 370.383 g/mol	logS: -6.47432	SlogP: 4.5906	Reactive groups: 0

Topological Properties
Globularity: 0.138433	Sterimol/B1: 3.7847	Sterimol/B2: 4.92278	Sterimol/B3: 6.78048
Sterimol/B4: 6.96571	Sterimol/L: 13.8506

Surface and Volume Properties
Accessible surface: 567.729	Positive charged surface: 285.679	Negative charged surface: 274.252	Volume: 337
Hydrophobic surface: 504.643	Hydrophilic surface: 63.086

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: 0

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Ions/Tautomers related molecules: no related molecules available.