MMsINC Database Search


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MMsINC code: MMs00246654

Type: Neutral
Formula: C₂₃H₂₀FN₃O₃

SMILES:

Fc1ccccc1CN(Cc1cccnc1)C(=O)CN1c2c(OCC1=O)cccc2

InChI:

InChI=1/C23H20FN3O3/c24-19-8-2-1-7-18(19)14-26(13-17-6-5-11-25-12-17)22(28)15-27-20-9-3-4-10-21(20)30-16-23(27)29/h1-12H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.612 kcal/mol

Physical Properties
Molecular Weight: 405.429 g/mol	logS: -4.31942	SlogP: 3.7079	Reactive groups: 0

Topological Properties
Globularity: 0.123529	Sterimol/B1: 3.28903	Sterimol/B2: 3.81089	Sterimol/B3: 4.11129
Sterimol/B4: 10.8259	Sterimol/L: 14.1216

Surface and Volume Properties
Accessible surface: 633.36	Positive charged surface: 395.912	Negative charged surface: 237.447	Volume: 375
Hydrophobic surface: 546.03	Hydrophilic surface: 87.33

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.