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MMsINC code: MMs03758162

Type: Neutral
Formula: C₁₆H₁₈FNO

SMILES:

Fc1ccc(OC(CCNC)c2ccccc2)cc1

InChI:

InChI=1/C16H18FNO/c1-18-12-11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16,18H,11-12H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9456 kcal/mol

Physical Properties
Molecular Weight: 259.324 g/mol	logS: -3.46685	SlogP: 3.6508	Reactive groups: 0

Topological Properties
Globularity: 0.155657	Sterimol/B1: 2.47869	Sterimol/B2: 3.01423	Sterimol/B3: 4.28719
Sterimol/B4: 8.28987	Sterimol/L: 13.7015

Surface and Volume Properties
Accessible surface: 510.734	Positive charged surface: 320.843	Negative charged surface: 189.891	Volume: 262.625
Hydrophobic surface: 483.922	Hydrophilic surface: 26.812

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03758163
PUBCHEM-ZINC06481801