MMsINC Database Search


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MMsINC code: MMs03194728

Type: Neutral
Formula: C₁₅H₁₂ClFO₃

SMILES:

Clc1cccc(F)c1COC(=O)c1cccc(C)c1O

InChI:

InChI=1/C15H12ClFO3/c1-9-4-2-5-10(14(9)18)15(19)20-8-11-12(16)6-3-7-13(11)17/h2-7,18H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7231 kcal/mol

Physical Properties
Molecular Weight: 294.709 g/mol	logS: -4.3623	SlogP: 4.11652	Reactive groups: 0

Topological Properties
Globularity: 0.065381	Sterimol/B1: 3.56713	Sterimol/B2: 3.83784	Sterimol/B3: 4.74377
Sterimol/B4: 5.02522	Sterimol/L: 15.5719

Surface and Volume Properties
Accessible surface: 508.644	Positive charged surface: 257.268	Negative charged surface: 251.376	Volume: 256.25
Hydrophobic surface: 440.342	Hydrophilic surface: 68.302

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.