MMsINC Database Search


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MMsINC code: MMs01685574

Type: Neutral
Formula: C₂₀H₁₄ClF₂NO₄

SMILES:

Clc1cc(F)c(F)cc1C(OCc1nc2c(cccc2)c(C)c1C(OC)=O)=O

InChI:

InChI=1/C20H14ClF2NO4/c1-10-11-5-3-4-6-16(11)24-17(18(10)20(26)27-2)9-28-19(25)12-7-14(22)15(23)8-13(12)21/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.166 kcal/mol

Physical Properties
Molecular Weight: 405.784 g/mol	logS: -6.45587	SlogP: 4.88482	Reactive groups: 0

Topological Properties
Globularity: 0.117804	Sterimol/B1: 3.94524	Sterimol/B2: 4.00564	Sterimol/B3: 5.19493
Sterimol/B4: 7.35623	Sterimol/L: 16.4131

Surface and Volume Properties
Accessible surface: 621.881	Positive charged surface: 311.904	Negative charged surface: 304.667	Volume: 338.25
Hydrophobic surface: 547.586	Hydrophilic surface: 74.295

Pharmacophoric Properties
Hydrogen bond donors: 0	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.