MMsINC Database Search


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MMsINC code: MMs00675142

Type: Neutral
Formula: C₂₃H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)-c1oc2c(n1)cc(NC(=O)COc1ccc(cc1C)C)cc2

InChI:

InChI=1/C23H19FN2O3/c1-14-3-9-20(15(2)11-14)28-13-22(27)25-18-8-10-21-19(12-18)26-23(29-21)16-4-6-17(24)7-5-16/h3-12H,13H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.206 kcal/mol

Physical Properties
Molecular Weight: 390.414 g/mol	logS: -7.67673	SlogP: 5.26824	Reactive groups: 0

Topological Properties
Globularity: 0.0115417	Sterimol/B1: 2.32658	Sterimol/B2: 3.60697	Sterimol/B3: 4.55517
Sterimol/B4: 6.18813	Sterimol/L: 22.1522

Surface and Volume Properties
Accessible surface: 689.689	Positive charged surface: 400.096	Negative charged surface: 289.593	Volume: 363.375
Hydrophobic surface: 602.787	Hydrophilic surface: 86.902

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

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Ions/Tautomers related molecules: no related molecules available.