MMsINC Database Search


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MMsINC code: MMs01486486

Type: Neutral
Formula: C₁₈H₁₇FN₂O₃

SMILES:

Fc1cc(ccc1OC)CN1C(=O)C(NC1=O)(C)c1ccccc1

InChI:

InChI=1/C18H17FN2O3/c1-18(13-6-4-3-5-7-13)16(22)21(17(23)20-18)11-12-8-9-15(24-2)14(19)10-12/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0679 kcal/mol

Physical Properties
Molecular Weight: 328.343 g/mol	logS: -4.24286	SlogP: 3.3794	Reactive groups: 0

Topological Properties
Globularity: 0.173437	Sterimol/B1: 3.18386	Sterimol/B2: 3.92481	Sterimol/B3: 4.15231
Sterimol/B4: 7.50378	Sterimol/L: 13.8619

Surface and Volume Properties
Accessible surface: 549.46	Positive charged surface: 335.411	Negative charged surface: 214.049	Volume: 302.625
Hydrophobic surface: 440.881	Hydrophilic surface: 108.579

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.