MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02704688

Type: Neutral
Formula: C₁₇H₁₂ClFO

SMILES:

Clc1cccc(F)c1COc1c2c(ccc1)cccc2

InChI:

InChI=1/C17H12ClFO/c18-15-8-4-9-16(19)14(15)11-20-17-10-3-6-12-5-1-2-7-13(12)17/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0098 kcal/mol

Physical Properties
Molecular Weight: 286.733 g/mol	logS: -6.11031	SlogP: 5.4777	Reactive groups: 0

Topological Properties
Globularity: 0.0768162	Sterimol/B1: 3.04551	Sterimol/B2: 3.89321	Sterimol/B3: 4.71673
Sterimol/B4: 7.02748	Sterimol/L: 14.543

Surface and Volume Properties
Accessible surface: 506.133	Positive charged surface: 227.85	Negative charged surface: 267.212	Volume: 260.5
Hydrophobic surface: 501.901	Hydrophilic surface: 4.232

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.