MMsINC Database Search


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MMsINC code: MMs02111857

Type: Neutral
Formula: C₂₀H₁₄ClFN₂O

SMILES:

Clc1cccc(F)c1COn1c2c(nc1-c1ccccc1)cccc2

InChI:

InChI=1/C20H14ClFN2O/c21-16-9-6-10-17(22)15(16)13-25-24-19-12-5-4-11-18(19)23-20(24)14-7-2-1-3-8-14/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3879 kcal/mol

Physical Properties
Molecular Weight: 352.796 g/mol	logS: -7.3142	SlogP: 5.391	Reactive groups: 0

Topological Properties
Globularity: 0.0165441	Sterimol/B1: 2.34924	Sterimol/B2: 2.55488	Sterimol/B3: 2.88691
Sterimol/B4: 10.412	Sterimol/L: 14.6511

Surface and Volume Properties
Accessible surface: 549.522	Positive charged surface: 267.121	Negative charged surface: 282.4	Volume: 318.125
Hydrophobic surface: 514.009	Hydrophilic surface: 35.513

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.