MMsINC Database Search


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MMsINC code: MMs02065133

Type: Neutral
Formula: C₁₆H₁₃ClFNO₂

SMILES:

Clc1cccc(F)c1COc1c2c(ccc1)C(=O)NCC2

InChI:

InChI=1/C16H13ClFNO2/c17-13-4-2-5-14(18)12(13)9-21-15-6-1-3-11-10(15)7-8-19-16(11)20/h1-6H,7-9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7396 kcal/mol

Physical Properties
Molecular Weight: 305.736 g/mol	logS: -4.56243	SlogP: 3.61037	Reactive groups: 0

Topological Properties
Globularity: 0.0865692	Sterimol/B1: 2.54751	Sterimol/B2: 3.99511	Sterimol/B3: 4.58459
Sterimol/B4: 7.50682	Sterimol/L: 14.8612

Surface and Volume Properties
Accessible surface: 507.732	Positive charged surface: 272.218	Negative charged surface: 235.515	Volume: 267.125
Hydrophobic surface: 429.248	Hydrophilic surface: 78.484

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.