MMsINC Database Search


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MMsINC code: MMs02146126

Type: Neutral
Formula: C₁₄H₁₉FN₂O

SMILES:

Fc1ccccc1CNC(=O)NC1CCCCC1

InChI:

InChI=1/C14H19FN2O/c15-13-9-5-4-6-11(13)10-16-14(18)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-7.49182 kcal/mol

Physical Properties
Molecular Weight: 250.317 g/mol	logS: -3.13835	SlogP: 3.224	Reactive groups: 1

Topological Properties
Globularity: 0.0572147	Sterimol/B1: 2.61365	Sterimol/B2: 3.2761	Sterimol/B3: 3.48075
Sterimol/B4: 4.87494	Sterimol/L: 16.3211

Surface and Volume Properties
Accessible surface: 502.008	Positive charged surface: 341.061	Negative charged surface: 160.947	Volume: 250.25
Hydrophobic surface: 435.7	Hydrophilic surface: 66.308

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.