MMsINC Database Search


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MMsINC code: MMs02634725

Type: Neutral
Formula: C₁₈H₁₄FNO₂

SMILES:

Fc1ccc(cc1)-c1nc2c(cc(cc2)CC)c(c1)C(O)=O

InChI:

InChI=1/C18H14FNO2/c1-2-11-3-8-16-14(9-11)15(18(21)22)10-17(20-16)12-4-6-13(19)7-5-12/h3-10H,2H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.142 kcal/mol

Physical Properties
Molecular Weight: 295.313 g/mol	logS: -5.62212	SlogP: 4.30147	Reactive groups: 0

Topological Properties
Globularity: 0.018501	Sterimol/B1: 2.03839	Sterimol/B2: 3.449	Sterimol/B3: 4.10365
Sterimol/B4: 6.57211	Sterimol/L: 16.5633

Surface and Volume Properties
Accessible surface: 526.456	Positive charged surface: 277.818	Negative charged surface: 235.959	Volume: 275.75
Hydrophobic surface: 393.805	Hydrophilic surface: 132.651

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02634726
PUBCHEM-ZINC00132783