MMsINC Database Search


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MMsINC code: MMs00666867

Type: Neutral
Formula: C₂₄H₂₁FN₂O₃

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1OC)-c1oc2c(n1)cc(cc2)C(C)C

InChI:

InChI=1/C24H21FN2O3/c1-14(2)15-8-11-22-20(12-15)27-24(30-22)16-9-10-21(29-3)19(13-16)26-23(28)17-6-4-5-7-18(17)25/h4-14H,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.46 kcal/mol

Physical Properties
Molecular Weight: 404.441 g/mol	logS: -8.52026	SlogP: 6.0182	Reactive groups: 0

Topological Properties
Globularity: 0.0202384	Sterimol/B1: 2.31981	Sterimol/B2: 4.88455	Sterimol/B3: 5.66537
Sterimol/B4: 7.1071	Sterimol/L: 19.8335

Surface and Volume Properties
Accessible surface: 696.775	Positive charged surface: 434.736	Negative charged surface: 262.039	Volume: 382.125
Hydrophobic surface: 580.354	Hydrophilic surface: 116.421

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.