MMsINC Database Search


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MMsINC code: MMs00481680

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccc(NC(=O)C(N2Cc3c(cccc3)C2=O)Cc2ccccc2)cc1

InChI:

InChI=1/C23H19FN2O2/c24-18-10-12-19(13-11-18)25-22(27)21(14-16-6-2-1-3-7-16)26-15-17-8-4-5-9-20(17)23(26)28/h1-13,21H,14-15H2,(H,25,27)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.199 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.6682	SlogP: 4.29787	Reactive groups: 0

Topological Properties
Globularity: 0.0839909	Sterimol/B1: 2.85195	Sterimol/B2: 3.65218	Sterimol/B3: 3.86115
Sterimol/B4: 9.7838	Sterimol/L: 15.824

Surface and Volume Properties
Accessible surface: 623.864	Positive charged surface: 334.454	Negative charged surface: 289.411	Volume: 358.125
Hydrophobic surface: 571.079	Hydrophilic surface: 52.785

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.