MMsINC Database Search


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MMsINC code: MMs01053071

Type: Neutral
Formula: C₂₃H₂₈FN₃O₃

SMILES:

Fc1cc(NC(=O)N(Cc2ccc(OC)cc2)C2CCN(CC2)C(=O)C)ccc1C

InChI:

InChI=1/C23H28FN3O3/c1-16-4-7-19(14-22(16)24)25-23(29)27(15-18-5-8-21(30-3)9-6-18)20-10-12-26(13-11-20)17(2)28/h4-9,14,20H,10-13,15H2,1-3H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7062 kcal/mol

Physical Properties
Molecular Weight: 413.493 g/mol	logS: -4.22225	SlogP: 4.45412	Reactive groups: 0

Topological Properties
Globularity: 0.181151	Sterimol/B1: 2.18411	Sterimol/B2: 3.32174	Sterimol/B3: 5.3105
Sterimol/B4: 12.2373	Sterimol/L: 15.1787

Surface and Volume Properties
Accessible surface: 682.012	Positive charged surface: 456.205	Negative charged surface: 225.807	Volume: 401.375
Hydrophobic surface: 608.462	Hydrophilic surface: 73.55

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.