MMsINC Database Search


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MMsINC code: MMs03055015

Type: Neutral
Formula: C₁₅H₁₃F₂N

SMILES:

Fc1cc(ccc1F)C1Nc2c(C1)cc(cc2)C

InChI:

InChI=1/C15H13F2N/c1-9-2-5-14-11(6-9)8-15(18-14)10-3-4-12(16)13(17)7-10/h2-7,15,18H,8H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9978 kcal/mol

Physical Properties
Molecular Weight: 245.272 g/mol	logS: -4.19699	SlogP: 4.07799	Reactive groups: 0

Topological Properties
Globularity: 0.118665	Sterimol/B1: 2.38085	Sterimol/B2: 3.88984	Sterimol/B3: 4.29839
Sterimol/B4: 4.67703	Sterimol/L: 14.1301

Surface and Volume Properties
Accessible surface: 460.111	Positive charged surface: 256.114	Negative charged surface: 203.997	Volume: 231.375
Hydrophobic surface: 435.498	Hydrophilic surface: 24.613

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

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Ions/Tautomers related molecules: no related molecules available.