MMsINC Database Search


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MMsINC code: MMs01037411

Type: Neutral
Formula: C₁₈H₁₆FNO₂

SMILES:

Fc1ccc(NC(=O)Cc2c3cc(ccc3oc2)CC)cc1

InChI:

InChI=1/C18H16FNO2/c1-2-12-3-8-17-16(9-12)13(11-22-17)10-18(21)20-15-6-4-14(19)5-7-15/h3-9,11H,2,10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3024 kcal/mol

Physical Properties
Molecular Weight: 297.329 g/mol	logS: -6.14579	SlogP: 4.31544	Reactive groups: 0

Topological Properties
Globularity: 0.114941	Sterimol/B1: 2.48735	Sterimol/B2: 3.84624	Sterimol/B3: 4.02497
Sterimol/B4: 8.72958	Sterimol/L: 14.4626

Surface and Volume Properties
Accessible surface: 551.565	Positive charged surface: 312.431	Negative charged surface: 235.705	Volume: 283.875
Hydrophobic surface: 479.276	Hydrophilic surface: 72.289

Pharmacophoric Properties
Hydrogen bond donors: 1	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.