MMsINC Database Search


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MMsINC code: MMs01004824

Type: Neutral
Formula: C₂₅H₁₈FNO₄

SMILES:

Fc1ccc(cc1)CN1C=C(C(=O)c2cc3OCOc3cc2)C(=O)c2cc(ccc12)C

InChI:

InChI=1/C25H18FNO4/c1-15-2-8-21-19(10-15)25(29)20(13-27(21)12-16-3-6-18(26)7-4-16)24(28)17-5-9-22-23(11-17)31-14-30-22/h2-11,13H,12,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.535 kcal/mol

Physical Properties
Molecular Weight: 415.42 g/mol	logS: -6.63935	SlogP: 5.09892	Reactive groups: 1

Topological Properties
Globularity: 0.0606188	Sterimol/B1: 2.16	Sterimol/B2: 2.86255	Sterimol/B3: 4.32893
Sterimol/B4: 11.2536	Sterimol/L: 17.9864

Surface and Volume Properties
Accessible surface: 654.854	Positive charged surface: 364.623	Negative charged surface: 290.231	Volume: 376.5
Hydrophobic surface: 530.727	Hydrophilic surface: 124.127

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.