MMsINC Database Search


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MMsINC code: MMs02684714

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)C(NC(=O)C)c1ccc2c(nccc2)c1O

InChI:

InChI=1/C18H15FN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.517 kcal/mol

Physical Properties
Molecular Weight: 310.328 g/mol	logS: -3.82784	SlogP: 3.4005	Reactive groups: 0

Topological Properties
Globularity: 0.204146	Sterimol/B1: 2.29576	Sterimol/B2: 3.47268	Sterimol/B3: 4.62759
Sterimol/B4: 9.5922	Sterimol/L: 13.09

Surface and Volume Properties
Accessible surface: 524.606	Positive charged surface: 298.264	Negative charged surface: 221.536	Volume: 288.125
Hydrophobic surface: 434.29	Hydrophilic surface: 90.316

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: no related molecules available.