MMsINC Database Search


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MMsINC code: MMs02075060

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1cc2CCC(=O)N3CCc(c1)c23

InChI:

InChI=1/C18H15FN2O2/c19-14-3-1-2-13(8-14)18(23)20-15-9-11-4-5-16(22)21-7-6-12(10-15)17(11)21/h1-3,8-10H,4-7H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.056 kcal/mol

Physical Properties
Molecular Weight: 310.328 g/mol	logS: -3.99561	SlogP: 2.91324	Reactive groups: 0

Topological Properties
Globularity: 0.0242661	Sterimol/B1: 2.71267	Sterimol/B2: 3.28841	Sterimol/B3: 3.77136
Sterimol/B4: 5.52333	Sterimol/L: 16.8799

Surface and Volume Properties
Accessible surface: 535.383	Positive charged surface: 319.222	Negative charged surface: 216.161	Volume: 282.375
Hydrophobic surface: 454.182	Hydrophilic surface: 81.201

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.