MMsINC Database Search


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MMsINC code: MMs01581238

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)CCNC(=O)CCN1C(=O)C2C(CCCC2)C1=O

InChI:

InChI=1/C19H23FN2O3/c20-14-7-5-13(6-8-14)9-11-21-17(23)10-12-22-18(24)15-3-1-2-4-16(15)19(22)25/h5-8,15-16H,1-4,9-12H2,(H,21,23)/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.7875 kcal/mol

Physical Properties
Molecular Weight: 346.402 g/mol	logS: -3.46789	SlogP: 2.04967	Reactive groups: 0

Topological Properties
Globularity: 0.0292066	Sterimol/B1: 2.85939	Sterimol/B2: 2.9155	Sterimol/B3: 3.93541
Sterimol/B4: 5.17753	Sterimol/L: 20.6702

Surface and Volume Properties
Accessible surface: 618.909	Positive charged surface: 399.297	Negative charged surface: 219.611	Volume: 329.875
Hydrophobic surface: 500.926	Hydrophilic surface: 117.983

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.