MMsINC Database Search


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MMsINC code: MMs02275391

Type: Neutral
Formula: C₁₈H₂₃FN₂O

SMILES:

FC12CC3(NC(=O)Nc4ccc(cc4)C)CC(C1)CC(C3)C2

InChI:

InChI=1/C18H23FN2O/c1-12-2-4-15(5-3-12)20-16(22)21-18-9-13-6-14(10-18)8-17(19,7-13)11-18/h2-5,13-14H,6-11H2,1H3,(H2,20,21,22)/t13-,14+,17+,18-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.617 kcal/mol

Physical Properties
Molecular Weight: 302.393 g/mol	logS: -4.34905	SlogP: 4.59732	Reactive groups: 0

Topological Properties
Globularity: 0.0755582	Sterimol/B1: 2.86968	Sterimol/B2: 3.91615	Sterimol/B3: 4.1624
Sterimol/B4: 5.17298	Sterimol/L: 15.626

Surface and Volume Properties
Accessible surface: 529.926	Positive charged surface: 361.419	Negative charged surface: 168.507	Volume: 295.125
Hydrophobic surface: 450.3	Hydrophilic surface: 79.626

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

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.