MMsINC Database Search


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MMsINC code: MMs02792994

Type: Neutral
Formula: C₁₁H₇ClF₃N₃O

SMILES:

Clc1ccc(cc1NC=1NC(=O)C=CN=1)C(F)(F)F

InChI:

InChI=1/C11H7ClF3N3O/c12-7-2-1-6(11(13,14)15)5-8(7)17-10-16-4-3-9(19)18-10/h1-5H,(H2,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.8393 kcal/mol

Physical Properties
Molecular Weight: 289.644 g/mol	logS: -4.12252	SlogP: 3.0817	Reactive groups: 0

Topological Properties
Globularity: 0.0455737	Sterimol/B1: 2.55647	Sterimol/B2: 3.465	Sterimol/B3: 4.67947
Sterimol/B4: 5.42255	Sterimol/L: 12.6671

Surface and Volume Properties
Accessible surface: 443.097	Positive charged surface: 179.016	Negative charged surface: 264.082	Volume: 219
Hydrophobic surface: 238.77	Hydrophilic surface: 204.327

Pharmacophoric Properties
Hydrogen bond donors: 2	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.