MMsINC Database Search


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MMsINC code: MMs00588358

Type: Neutral
Formula: C₂₀H₁₅FN₂O

SMILES:

Fc1ccc(cc1)C1Nc2c(cccc2)C(=O)N1c1ccccc1

InChI:

InChI=1/C20H15FN2O/c21-15-12-10-14(11-13-15)19-22-18-9-5-4-8-17(18)20(24)23(19)16-6-2-1-3-7-16/h1-13,19,22H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9215 kcal/mol

Physical Properties
Molecular Weight: 318.351 g/mol	logS: -5.13779	SlogP: 4.6923	Reactive groups: 0

Topological Properties
Globularity: 0.22151	Sterimol/B1: 3.52616	Sterimol/B2: 3.82629	Sterimol/B3: 3.83158
Sterimol/B4: 7.44448	Sterimol/L: 14.1976

Surface and Volume Properties
Accessible surface: 533.883	Positive charged surface: 276.901	Negative charged surface: 256.982	Volume: 300.5
Hydrophobic surface: 488.608	Hydrophilic surface: 45.275

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.