MMsINC Database Search


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MMsINC code: MMs01268041

Type: Neutral
Formula: C₂₁H₁₈FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C21H18FNO2/c22-19-10-6-16(7-11-19)14-23-21(24)18-8-12-20(13-9-18)25-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.344 kcal/mol

Physical Properties
Molecular Weight: 335.378 g/mol	logS: -5.41217	SlogP: 4.8675	Reactive groups: 0

Topological Properties
Globularity: 0.0464078	Sterimol/B1: 3.61915	Sterimol/B2: 3.62006	Sterimol/B3: 4.00205
Sterimol/B4: 6.17908	Sterimol/L: 19.4557

Surface and Volume Properties
Accessible surface: 624.261	Positive charged surface: 333.665	Negative charged surface: 290.596	Volume: 328.375
Hydrophobic surface: 568.647	Hydrophilic surface: 55.614

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.