MMsINC Database Search


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MMsINC code: MMs00634611

Type: Neutral
Formula: C₁₈H₁₄ClFO₃

SMILES:

Clc1cc(F)ccc1COc1c2c(OC(=O)C=C2C)cc(c1)C

InChI:

InChI=1/C18H14ClFO3/c1-10-5-15(18-11(2)7-17(21)23-16(18)6-10)22-9-12-3-4-13(20)8-14(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)=89.7309 kcal/mol

Physical Properties
Molecular Weight: 332.758 g/mol	logS: -6.42287	SlogP: 4.95522	Reactive groups: 0

Topological Properties
Globularity: 0.0128223	Sterimol/B1: 2.08828	Sterimol/B2: 2.2795	Sterimol/B3: 2.67217
Sterimol/B4: 8.97648	Sterimol/L: 14.4987

Surface and Volume Properties
Accessible surface: 526.918	Positive charged surface: 249.532	Negative charged surface: 277.386	Volume: 289.875
Hydrophobic surface: 458.285	Hydrophilic surface: 68.633

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.