MMsINC Database Search


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MMsINC code: MMs01152620

Type: Neutral
Formula: C₂₅H₂₁FN₂O

SMILES:

Fc1ccc(-n2c(cc(C(=O)NCc3ccccc3)c2C)-c2ccccc2)cc1

InChI:

InChI=1/C25H21FN2O/c1-18-23(25(29)27-17-19-8-4-2-5-9-19)16-24(20-10-6-3-7-11-20)28(18)22-14-12-21(26)13-15-22/h2-16H,17H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.897 kcal/mol

Physical Properties
Molecular Weight: 384.454 g/mol	logS: -6.46355	SlogP: 5.78822	Reactive groups: 0

Topological Properties
Globularity: 0.0547647	Sterimol/B1: 1.969	Sterimol/B2: 3.41597	Sterimol/B3: 3.9234
Sterimol/B4: 9.83538	Sterimol/L: 18.2204

Surface and Volume Properties
Accessible surface: 663.823	Positive charged surface: 358.973	Negative charged surface: 304.85	Volume: 381.5
Hydrophobic surface: 617.173	Hydrophilic surface: 46.65

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.