MMsINC Database Search


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MMsINC code: MMs02114683

Type: Neutral
Formula: C₁₈H₁₄Cl₂F₃NO

SMILES:

Clc1cc(cc(Cl)c1)C(=O)N(Cc1cc(ccc1)C(F)(F)F)CC=C

InChI:

InChI=1/C18H14Cl2F3NO/c1-2-6-24(17(25)13-8-15(19)10-16(20)9-13)11-12-4-3-5-14(7-12)18(21,22)23/h2-5,7-10H,1,6,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.882 kcal/mol

Physical Properties
Molecular Weight: 388.216 g/mol	logS: -6.21428	SlogP: 6.4185	Reactive groups: 0

Topological Properties
Globularity: 0.158814	Sterimol/B1: 2.34637	Sterimol/B2: 4.01	Sterimol/B3: 4.35563
Sterimol/B4: 9.47564	Sterimol/L: 14.0647

Surface and Volume Properties
Accessible surface: 576.597	Positive charged surface: 201.489	Negative charged surface: 375.108	Volume: 320.125
Hydrophobic surface: 400.306	Hydrophilic surface: 176.291

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.