MMsINC Database Search


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MMsINC code: MMs01447170

Type: Neutral
Formula: C₁₈H₁₄ClF₂NO₄

SMILES:

Clc1cc(F)c(F)cc1C(OC(C(=O)Nc1cc(ccc1)C(=O)C)C)=O

InChI:

InChI=1/C18H14ClF2NO4/c1-9(23)11-4-3-5-12(6-11)22-17(24)10(2)26-18(25)13-7-15(20)16(21)8-14(13)19/h3-8,10H,1-2H3,(H,22,24)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3654 kcal/mol

Physical Properties
Molecular Weight: 381.762 g/mol	logS: -5.72677	SlogP: 4.0048	Reactive groups: 0

Topological Properties
Globularity: 0.0368351	Sterimol/B1: 2.21864	Sterimol/B2: 2.76731	Sterimol/B3: 4.91819
Sterimol/B4: 8.01112	Sterimol/L: 16.7724

Surface and Volume Properties
Accessible surface: 608.718	Positive charged surface: 282.113	Negative charged surface: 326.606	Volume: 320.125
Hydrophobic surface: 487.887	Hydrophilic surface: 120.831

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

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.