MMsINC Database Search


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MMsINC code: MMs02675287

Type: Neutral
Formula: C₂₀H₁₇FN₂O

SMILES:

Fc1ccc(NC(=O)N(Cc2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C20H17FN2O/c21-17-11-13-18(14-12-17)22-20(24)23(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3255 kcal/mol

Physical Properties
Molecular Weight: 320.367 g/mol	logS: -5.20894	SlogP: 5.3308	Reactive groups: 0

Topological Properties
Globularity: 0.165529	Sterimol/B1: 2.71752	Sterimol/B2: 2.91068	Sterimol/B3: 5.13851
Sterimol/B4: 9.51685	Sterimol/L: 14.5355

Surface and Volume Properties
Accessible surface: 565.501	Positive charged surface: 313.173	Negative charged surface: 252.328	Volume: 313.125
Hydrophobic surface: 538.91	Hydrophilic surface: 26.591

Pharmacophoric Properties
Hydrogen bond donors: 1	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.