MMsINC Database Search


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MMsINC code: MMs01054215

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1ccc(N(C(=O)C=2c3c(cccc3)C(=O)N(C=2)c2cc(OC)ccc2)C)cc1

InChI:

InChI=1/C24H19FN2O3/c1-26(17-12-10-16(25)11-13-17)23(28)22-15-27(18-6-5-7-19(14-18)30-2)24(29)21-9-4-3-8-20(21)22/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.715 kcal/mol

Physical Properties
Molecular Weight: 402.425 g/mol	logS: -5.88924	SlogP: 4.4986	Reactive groups: 0

Topological Properties
Globularity: 0.081599	Sterimol/B1: 2.16417	Sterimol/B2: 4.20558	Sterimol/B3: 5.90676
Sterimol/B4: 8.01732	Sterimol/L: 18.2376

Surface and Volume Properties
Accessible surface: 643.779	Positive charged surface: 371.264	Negative charged surface: 272.516	Volume: 374.25
Hydrophobic surface: 588.217	Hydrophilic surface: 55.562

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.