MMsINC Database Search


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MMsINC code: MMs02925473

Type: Neutral
Formula: C₂₅H₂₃FN₂O₃

SMILES:

Fc1cc(ccc1)C(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C25H23FN2O3/c26-22-8-4-7-21(17-22)25(30)28-15-13-27(14-16-28)24(29)18-31-23-11-9-20(10-12-23)19-5-2-1-3-6-19/h1-12,17H,13-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.335 kcal/mol

Physical Properties
Molecular Weight: 418.468 g/mol	logS: -6.20652	SlogP: 3.8561	Reactive groups: 0

Topological Properties
Globularity: 0.0190822	Sterimol/B1: 3.11278	Sterimol/B2: 3.27678	Sterimol/B3: 4.1147
Sterimol/B4: 7.51853	Sterimol/L: 20.3846

Surface and Volume Properties
Accessible surface: 707.975	Positive charged surface: 398.169	Negative charged surface: 299.059	Volume: 396
Hydrophobic surface: 633.8	Hydrophilic surface: 74.175

Pharmacophoric Properties
Hydrogen bond donors: 0	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.