MMsINC Database Search


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MMsINC code: MMs01401435

Type: Neutral
Formula: C₁₅H₁₀ClFN₂O

SMILES:

Clc1cc(F)ccc1COc1ncnc2c1cccc2

InChI:

InChI=1/C15H10ClFN2O/c16-13-7-11(17)6-5-10(13)8-20-15-12-3-1-2-4-14(12)18-9-19-15/h1-7,9H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1191 kcal/mol

Physical Properties
Molecular Weight: 288.709 g/mol	logS: -5.29323	SlogP: 4.2677	Reactive groups: 0

Topological Properties
Globularity: 0.00425543	Sterimol/B1: 2.37102	Sterimol/B2: 2.37908	Sterimol/B3: 2.56424
Sterimol/B4: 7.3683	Sterimol/L: 14.6676

Surface and Volume Properties
Accessible surface: 491.013	Positive charged surface: 238.001	Negative charged surface: 247.476	Volume: 253.875
Hydrophobic surface: 418.409	Hydrophilic surface: 72.604

Pharmacophoric Properties
Hydrogen bond donors: 0	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.