MMsINC Database Search


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MMsINC code: MMs01748925

Type: Neutral
Formula: C₁₅H₁₇FN₂O

SMILES:

Fc1cc2cc(C(=O)N(CC)CC)c(nc2cc1)C

InChI:

InChI=1/C15H17FN2O/c1-4-18(5-2)15(19)13-9-11-8-12(16)6-7-14(11)17-10(13)3/h6-9H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1035 kcal/mol

Physical Properties
Molecular Weight: 260.312 g/mol	logS: -3.27635	SlogP: 3.16432	Reactive groups: 0

Topological Properties
Globularity: 0.145551	Sterimol/B1: 2.22999	Sterimol/B2: 3.95227	Sterimol/B3: 5.57073
Sterimol/B4: 5.97558	Sterimol/L: 14.142

Surface and Volume Properties
Accessible surface: 482.863	Positive charged surface: 288.678	Negative charged surface: 190.14	Volume: 256
Hydrophobic surface: 401.124	Hydrophilic surface: 81.739

Pharmacophoric Properties
Hydrogen bond donors: 0	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.