MMsINC Database Search


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MMsINC code: MMs01585090

Type: Neutral
Formula: C₂₁H₂₀FNO₄

SMILES:

Fc1ccc(cc1)CCn1c(C)c(cc1C)C(=O)COC(=O)c1occc1

InChI:

InChI=1/C21H20FNO4/c1-14-12-18(19(24)13-27-21(25)20-4-3-11-26-20)15(2)23(14)10-9-16-5-7-17(22)8-6-16/h3-8,11-12H,9-10,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8326 kcal/mol

Physical Properties
Molecular Weight: 369.392 g/mol	logS: -4.70579	SlogP: 4.38581	Reactive groups: 0

Topological Properties
Globularity: 0.0137364	Sterimol/B1: 2.3214	Sterimol/B2: 2.91543	Sterimol/B3: 3.0836
Sterimol/B4: 7.60997	Sterimol/L: 22.0577

Surface and Volume Properties
Accessible surface: 647.218	Positive charged surface: 339.725	Negative charged surface: 307.493	Volume: 352
Hydrophobic surface: 554.224	Hydrophilic surface: 92.994

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.