MMsINC Database Search


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MMsINC code: MMs01394731

Type: Neutral
Formula: C₁₈H₁₅F₄NO₄

SMILES:

Fc1cc(NC(=O)COC(=O)COc2cc(ccc2)C(F)(F)F)ccc1C

InChI:

InChI=1/C18H15F4NO4/c1-11-5-6-13(8-15(11)19)23-16(24)9-27-17(25)10-26-14-4-2-3-12(7-14)18(20,21)22/h2-8H,9-10H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1475 kcal/mol

Physical Properties
Molecular Weight: 385.313 g/mol	logS: -5.35186	SlogP: 4.02512	Reactive groups: 1

Topological Properties
Globularity: 0.00975621	Sterimol/B1: 2.59177	Sterimol/B2: 2.96751	Sterimol/B3: 3.26288
Sterimol/B4: 5.17084	Sterimol/L: 21.641

Surface and Volume Properties
Accessible surface: 637.131	Positive charged surface: 314.914	Negative charged surface: 322.218	Volume: 316.25
Hydrophobic surface: 434.602	Hydrophilic surface: 202.529

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