MMsINC Database Search


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MMsINC code: MMs01180601

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃

SMILES:

Fc1ccc(NC(=O)CCN(C(=O)c2cc(oc2C)C)CCC)cc1

InChI:

InChI=1/C19H23FN2O3/c1-4-10-22(19(24)17-12-13(2)25-14(17)3)11-9-18(23)21-16-7-5-15(20)6-8-16/h5-8,12H,4,9-11H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5499 kcal/mol

Physical Properties
Molecular Weight: 346.402 g/mol	logS: -4.35276	SlogP: 3.91654	Reactive groups: 0

Topological Properties
Globularity: 0.156141	Sterimol/B1: 2.18098	Sterimol/B2: 4.23085	Sterimol/B3: 4.58397
Sterimol/B4: 10.4968	Sterimol/L: 15.7663

Surface and Volume Properties
Accessible surface: 629.765	Positive charged surface: 379.493	Negative charged surface: 250.272	Volume: 338
Hydrophobic surface: 536.328	Hydrophilic surface: 93.437

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.