MMsINC Database Search


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MMsINC code: MMs01646081

Type: Neutral
Formula: C₂₀H₁₇FN₂O

SMILES:

Fc1ccc(Nc2ccccc2C(=O)Nc2cc(ccc2)C)cc1

InChI:

InChI=1/C20H17FN2O/c1-14-5-4-6-17(13-14)23-20(24)18-7-2-3-8-19(18)22-16-11-9-15(21)10-12-16/h2-13,22H,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.199 kcal/mol

Physical Properties
Molecular Weight: 320.367 g/mol	logS: -5.74409	SlogP: 5.13002	Reactive groups: 0

Topological Properties
Globularity: 0.152645	Sterimol/B1: 3.2273	Sterimol/B2: 5.41333	Sterimol/B3: 5.87727
Sterimol/B4: 6.42836	Sterimol/L: 13.9726

Surface and Volume Properties
Accessible surface: 574.228	Positive charged surface: 323.792	Negative charged surface: 250.435	Volume: 310
Hydrophobic surface: 539.668	Hydrophilic surface: 34.56

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.