MMsINC Database Search


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MMsINC code: MMs02401074

Type: Neutral
Formula: C₁₅H₁₉FN₂O₇

SMILES:

FC1=CN(C2OC(COC(=O)CC)C(OC(=O)CC)C2)C(=O)NC1=O

InChI:

InChI=1/C15H19FN2O7/c1-3-12(19)23-7-10-9(25-13(20)4-2)5-11(24-10)18-6-8(16)14(21)17-15(18)22/h6,9-11H,3-5,7H2,1-2H3,(H,17,21,22)/t9-,10-,11+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9685 kcal/mol

Physical Properties
Molecular Weight: 358.322 g/mol	logS: -2.30488	SlogP: 0.848	Reactive groups: 1

Topological Properties
Globularity: 0.104313	Sterimol/B1: 3.74129	Sterimol/B2: 3.85865	Sterimol/B3: 4.0475
Sterimol/B4: 9.53305	Sterimol/L: 15.2828

Surface and Volume Properties
Accessible surface: 601.534	Positive charged surface: 374.111	Negative charged surface: 227.423	Volume: 303.75
Hydrophobic surface: 362.139	Hydrophilic surface: 239.395

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.