MMsINC Database Search


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MMsINC code: MMs01271531

Type: Neutral
Formula: C₁₄H₁₀ClFN₂O

SMILES:

Clc1cc2nc(oc2cc1)Nc1cc(F)ccc1C

InChI:

InChI=1/C14H10ClFN2O/c1-8-2-4-10(16)7-11(8)17-14-18-12-6-9(15)3-5-13(12)19-14/h2-7H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0545 kcal/mol

Physical Properties
Molecular Weight: 276.698 g/mol	logS: -5.42669	SlogP: 4.67232	Reactive groups: 0

Topological Properties
Globularity: 0.00788393	Sterimol/B1: 2.03605	Sterimol/B2: 2.18172	Sterimol/B3: 2.50168
Sterimol/B4: 6.90684	Sterimol/L: 15.3536

Surface and Volume Properties
Accessible surface: 473.321	Positive charged surface: 221.619	Negative charged surface: 251.703	Volume: 239.125
Hydrophobic surface: 418.359	Hydrophilic surface: 54.962

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

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Ions/Tautomers related molecules: no related molecules available.