MMsINC Database Search


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MMsINC code: MMs00622267

Type: Neutral
Formula: C₁₈H₁₄ClFO₃

SMILES:

Clc1cc(F)ccc1COc1cc2OC(=O)C(C)=C(c2cc1)C

InChI:

InChI=1/C18H14ClFO3/c1-10-11(2)18(21)23-17-8-14(5-6-15(10)17)22-9-12-3-4-13(20)7-16(12)19/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6313 kcal/mol

Physical Properties
Molecular Weight: 332.758 g/mol	logS: -5.9659	SlogP: 5.0369	Reactive groups: 0

Topological Properties
Globularity: 0.00659447	Sterimol/B1: 2.37759	Sterimol/B2: 2.52706	Sterimol/B3: 3.12022
Sterimol/B4: 6.48938	Sterimol/L: 17.5225

Surface and Volume Properties
Accessible surface: 549.67	Positive charged surface: 260.792	Negative charged surface: 288.877	Volume: 292
Hydrophobic surface: 486.1	Hydrophilic surface: 63.57

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.