MMsINC Database Search


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MMsINC code: MMs01464159

Type: Neutral
Formula: C₂₄H₂₅FN₂O₃

SMILES:

Fc1ccc(cc1)CCn1c(C)c(cc1C)C(=O)COc1ccccc1NC(=O)C

InChI:

InChI=1/C24H25FN2O3/c1-16-14-21(17(2)27(16)13-12-19-8-10-20(25)11-9-19)23(29)15-30-24-7-5-4-6-22(24)26-18(3)28/h4-11,14H,12-13,15H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.558 kcal/mol

Physical Properties
Molecular Weight: 408.473 g/mol	logS: -4.83232	SlogP: 4.97321	Reactive groups: 0

Topological Properties
Globularity: 0.0126818	Sterimol/B1: 2.35626	Sterimol/B2: 2.52226	Sterimol/B3: 3.22974
Sterimol/B4: 8.48271	Sterimol/L: 21.0867

Surface and Volume Properties
Accessible surface: 713.587	Positive charged surface: 407.935	Negative charged surface: 305.651	Volume: 399.625
Hydrophobic surface: 628.26	Hydrophilic surface: 85.327

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.