MMsINC Database Search


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MMsINC code: MMs03610322

Type: Neutral
Formula: C₁₄H₁₉FN₂O

SMILES:

Fc1ccccc1NC(=O)NC1CCC(CC1)C

InChI:

InChI=1/C14H19FN2O/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9H2,1H3,(H2,16,17,18)/t10-,11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4158 kcal/mol

Physical Properties
Molecular Weight: 250.317 g/mol	logS: -3.70953	SlogP: 3.5259	Reactive groups: 0

Topological Properties
Globularity: 0.0623734	Sterimol/B1: 3.01318	Sterimol/B2: 3.13757	Sterimol/B3: 3.62458
Sterimol/B4: 4.40044	Sterimol/L: 16.0347

Surface and Volume Properties
Accessible surface: 490.643	Positive charged surface: 334.003	Negative charged surface: 156.64	Volume: 248
Hydrophobic surface: 415.66	Hydrophilic surface: 74.983

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.