MMsINC Database Search


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MMsINC code: MMs00983929

Type: Neutral
Formula: C₂₄H₂₅FN₂O₃

SMILES:

Fc1cc(NC(=O)Cn2c(-c3ccccc3)c(C)c(C(OCC)=O)c2C)ccc1C

InChI:

InChI=1/C24H25FN2O3/c1-5-30-24(29)22-16(3)23(18-9-7-6-8-10-18)27(17(22)4)14-21(28)26-19-12-11-15(2)20(25)13-19/h6-13H,5,14H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.024 kcal/mol

Physical Properties
Molecular Weight: 408.473 g/mol	logS: -5.75197	SlogP: 5.30126	Reactive groups: 0

Topological Properties
Globularity: 0.128905	Sterimol/B1: 2.15947	Sterimol/B2: 2.4506	Sterimol/B3: 6.40111
Sterimol/B4: 11.1955	Sterimol/L: 16.6723

Surface and Volume Properties
Accessible surface: 710.624	Positive charged surface: 418.257	Negative charged surface: 292.367	Volume: 399.375
Hydrophobic surface: 621.223	Hydrophilic surface: 89.401

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.