MMsINC Database Search


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MMsINC code: MMs02610480

Type: Neutral
Formula: C₂₃H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)-c1cnc(Oc2ccccc2C(=O)c2ccccc2)nc1

InChI:

InChI=1/C23H15FN2O2/c24-19-12-10-16(11-13-19)18-14-25-23(26-15-18)28-21-9-5-4-8-20(21)22(27)17-6-2-1-3-7-17/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.813 kcal/mol

Physical Properties
Molecular Weight: 370.383 g/mol	logS: -7.46636	SlogP: 5.306	Reactive groups: 0

Topological Properties
Globularity: 0.085644	Sterimol/B1: 2.67592	Sterimol/B2: 3.62825	Sterimol/B3: 3.99518
Sterimol/B4: 9.5019	Sterimol/L: 16.7656

Surface and Volume Properties
Accessible surface: 613.509	Positive charged surface: 319.435	Negative charged surface: 284.146	Volume: 348
Hydrophobic surface: 568.708	Hydrophilic surface: 44.801

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.