MMsINC Database Search


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MMsINC code: MMs01067941

Type: Neutral
Formula: C₂₄H₃₃FN₂O₃

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)N(CC(C)C)CC(C)C)c(C)c(c1)C(OCC)=O

InChI:

InChI=1/C24H33FN2O3/c1-7-30-24(29)21-12-22(19-8-10-20(25)11-9-19)27(18(21)6)15-23(28)26(13-16(2)3)14-17(4)5/h8-12,16-17H,7,13-15H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7471 kcal/mol

Physical Properties
Molecular Weight: 416.537 g/mol	logS: -4.96268	SlogP: 5.18632	Reactive groups: 0

Topological Properties
Globularity: 0.198565	Sterimol/B1: 4.54553	Sterimol/B2: 5.06791	Sterimol/B3: 5.78944
Sterimol/B4: 7.67223	Sterimol/L: 17.3089

Surface and Volume Properties
Accessible surface: 696.82	Positive charged surface: 455.911	Negative charged surface: 240.909	Volume: 422.875
Hydrophobic surface: 562.592	Hydrophilic surface: 134.228

Pharmacophoric Properties
Hydrogen bond donors: 0	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.