MMsINC Database Search


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MMsINC code: MMs01592709

Type: Neutral
Formula: C₂₂H₂₀FN₃O₂

SMILES:

Fc1ccccc1NC(=O)NC(=O)CNC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H20FN3O2/c23-18-13-7-8-14-19(18)25-22(28)26-20(27)15-24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,24H,15H2,(H2,25,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4257 kcal/mol

Physical Properties
Molecular Weight: 377.419 g/mol	logS: -5.41322	SlogP: 3.9485	Reactive groups: 0

Topological Properties
Globularity: 0.0793521	Sterimol/B1: 2.27477	Sterimol/B2: 4.04049	Sterimol/B3: 4.2482
Sterimol/B4: 9.21549	Sterimol/L: 18.3365

Surface and Volume Properties
Accessible surface: 663.051	Positive charged surface: 373.234	Negative charged surface: 289.817	Volume: 359.625
Hydrophobic surface: 559.847	Hydrophilic surface: 103.204

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.