MMsINC Database Search


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MMsINC code: MMs01976832

Type: Neutral
Formula: C₂₀H₁₅FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1c2c3c(ccc2)C(=O)N(c3cc1)CC

InChI:

InChI=1/C20H15FN2O2/c1-2-23-17-10-9-16(14-7-4-8-15(18(14)17)20(23)25)22-19(24)12-5-3-6-13(21)11-12/h3-11H,2H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0174 kcal/mol

Physical Properties
Molecular Weight: 334.35 g/mol	logS: -6.07344	SlogP: 4.2113	Reactive groups: 0

Topological Properties
Globularity: 0.0232106	Sterimol/B1: 2.19202	Sterimol/B2: 2.26872	Sterimol/B3: 3.60561
Sterimol/B4: 7.79718	Sterimol/L: 16.6513

Surface and Volume Properties
Accessible surface: 561.745	Positive charged surface: 298.448	Negative charged surface: 251.896	Volume: 308.25
Hydrophobic surface: 465.125	Hydrophilic surface: 96.62

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.