MMsINC Database Search


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MMsINC code: MMs01512154

Type: Neutral
Formula: C₁₅H₁₂ClF₂NO₂

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1cc(ccc1OC)C

InChI:

InChI=1/C15H12ClF2NO2/c1-8-3-4-14(21-2)13(5-8)19-15(20)9-6-11(17)12(18)7-10(9)16/h3-7H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8383 kcal/mol

Physical Properties
Molecular Weight: 311.715 g/mol	logS: -5.20342	SlogP: 4.18752	Reactive groups: 0

Topological Properties
Globularity: 0.023345	Sterimol/B1: 2.04381	Sterimol/B2: 2.27468	Sterimol/B3: 3.45803
Sterimol/B4: 8.807	Sterimol/L: 14.4899

Surface and Volume Properties
Accessible surface: 512.561	Positive charged surface: 270.421	Negative charged surface: 242.14	Volume: 263
Hydrophobic surface: 482.877	Hydrophilic surface: 29.684

Pharmacophoric Properties
Hydrogen bond donors: 1	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.