MMsINC Database Search


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MMsINC code: MMs01465758

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)CCc1ccccc1

InChI:

InChI=1/C18H17FN2O2/c19-15-9-5-4-8-14(15)12-21-17(22)16(20-18(21)23)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.8557 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -4.12851	SlogP: 3.14527	Reactive groups: 0

Topological Properties
Globularity: 0.120808	Sterimol/B1: 3.45091	Sterimol/B2: 3.77915	Sterimol/B3: 4.03272
Sterimol/B4: 6.34079	Sterimol/L: 14.2541

Surface and Volume Properties
Accessible surface: 549.32	Positive charged surface: 313.82	Negative charged surface: 235.499	Volume: 295.875
Hydrophobic surface: 449.956	Hydrophilic surface: 99.364

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

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.