MMsINC Database Search


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MMsINC code: MMs02082881

Type: Neutral
Formula: C₁₉H₂₁FN₂O₄

SMILES:

Fc1cc(NC(=O)C(=O)NCCc2cc(OC)c(OC)cc2)ccc1C

InChI:

InChI=1/C19H21FN2O4/c1-12-4-6-14(11-15(12)20)22-19(24)18(23)21-9-8-13-5-7-16(25-2)17(10-13)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.465 kcal/mol

Physical Properties
Molecular Weight: 360.385 g/mol	logS: -4.14512	SlogP: 2.44869	Reactive groups: 0

Topological Properties
Globularity: 0.0307516	Sterimol/B1: 2.75686	Sterimol/B2: 3.7734	Sterimol/B3: 4.13874
Sterimol/B4: 5.74025	Sterimol/L: 21.733

Surface and Volume Properties
Accessible surface: 659.738	Positive charged surface: 448.57	Negative charged surface: 211.169	Volume: 338.5
Hydrophobic surface: 540.983	Hydrophilic surface: 118.755

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.