MMsINC Database Search


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MMsINC code: MMs01386272

Type: Neutral
Formula: C₂₁H₁₈FNO₂

SMILES:

Fc1ccc(cc1)C(NC(=O)c1ccc(Oc2ccccc2)cc1)C

InChI:

InChI=1/C21H18FNO2/c1-15(16-7-11-18(22)12-8-16)23-21(24)17-9-13-20(14-10-17)25-19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7233 kcal/mol

Physical Properties
Molecular Weight: 335.378 g/mol	logS: -5.70381	SlogP: 5.2045	Reactive groups: 0

Topological Properties
Globularity: 0.0503177	Sterimol/B1: 2.24749	Sterimol/B2: 2.35952	Sterimol/B3: 4.80842
Sterimol/B4: 6.40963	Sterimol/L: 18.8509

Surface and Volume Properties
Accessible surface: 605.544	Positive charged surface: 317.486	Negative charged surface: 288.058	Volume: 324
Hydrophobic surface: 551.358	Hydrophilic surface: 54.186

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.