MMsINC Database Search


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MMsINC code: MMs00335720

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)C(N1C=C(C=CC1=O)C)C(=O)NCCOC

InChI:

InChI=1/C18H19FN2O4/c1-12-3-8-15(22)21(11-12)16(18(24)20-9-10-25-2)17(23)13-4-6-14(19)7-5-13/h3-8,11,16H,9-10H2,1-2H3,(H,20,24)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.767 kcal/mol

Physical Properties
Molecular Weight: 346.358 g/mol	logS: -3.31074	SlogP: 1.4418	Reactive groups: 0

Topological Properties
Globularity: 0.123644	Sterimol/B1: 2.28197	Sterimol/B2: 2.2893	Sterimol/B3: 5.81215
Sterimol/B4: 9.00497	Sterimol/L: 15.3712

Surface and Volume Properties
Accessible surface: 600.347	Positive charged surface: 379.028	Negative charged surface: 221.319	Volume: 320.5
Hydrophobic surface: 522.966	Hydrophilic surface: 77.381

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.