MMsINC Database Search


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MMsINC code: MMs03792454

Type: Neutral
Formula: C₂₅H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccc(cc1)C

InChI:

InChI=1/C25H20FNO3/c1-16-7-9-18(10-8-16)22-21(23(28)19-11-13-20(26)14-12-19)24(29)25(30)27(22)15-17-5-3-2-4-6-17/h2-14,21-22H,15H2,1H3/t21-,22+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.074 kcal/mol

Physical Properties
Molecular Weight: 401.437 g/mol	logS: -6.29774	SlogP: 4.64772	Reactive groups: 0

Topological Properties
Globularity: 0.116209	Sterimol/B1: 2.1435	Sterimol/B2: 3.83161	Sterimol/B3: 4.0105
Sterimol/B4: 9.47483	Sterimol/L: 16.3281

Surface and Volume Properties
Accessible surface: 617.64	Positive charged surface: 317.573	Negative charged surface: 300.068	Volume: 375.375
Hydrophobic surface: 513.543	Hydrophilic surface: 104.097

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.