MMsINC Database Search


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MMsINC code: MMs00632483

Type: Neutral
Formula: C₁₅H₁₅ClFNO₂

SMILES:

Clc1cc(NCc2cc(OC)c(OC)cc2)ccc1F

InChI:

InChI=1/C15H15ClFNO2/c1-19-14-6-3-10(7-15(14)20-2)9-18-11-4-5-13(17)12(16)8-11/h3-8,18H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6784 kcal/mol

Physical Properties
Molecular Weight: 295.741 g/mol	logS: -4.07927	SlogP: 4.3748	Reactive groups: 0

Topological Properties
Globularity: 0.0809333	Sterimol/B1: 2.26346	Sterimol/B2: 3.58874	Sterimol/B3: 4.84454
Sterimol/B4: 7.25885	Sterimol/L: 16.4416

Surface and Volume Properties
Accessible surface: 537.295	Positive charged surface: 332.255	Negative charged surface: 205.039	Volume: 268.625
Hydrophobic surface: 500.317	Hydrophilic surface: 36.978

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.