MMsINC Database Search


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MMsINC code: MMs01609830

Type: Neutral
Formula: C₁₇H₁₈FNO₂

SMILES:

Fc1ccc(cc1)COc1ccccc1C(=O)NC(C)C

InChI:

InChI=1/C17H18FNO2/c1-12(2)19-17(20)15-5-3-4-6-16(15)21-11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1538 kcal/mol

Physical Properties
Molecular Weight: 287.334 g/mol	logS: -4.29869	SlogP: 3.8093	Reactive groups: 0

Topological Properties
Globularity: 0.0886394	Sterimol/B1: 2.84093	Sterimol/B2: 3.02136	Sterimol/B3: 4.47092
Sterimol/B4: 8.48871	Sterimol/L: 14.2711

Surface and Volume Properties
Accessible surface: 554.483	Positive charged surface: 326.445	Negative charged surface: 228.038	Volume: 282
Hydrophobic surface: 479.201	Hydrophilic surface: 75.282

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.