MMsINC Database Search


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MMsINC code: MMs01675619

Type: Neutral
Formula: C₁₉H₁₄FNO₂

SMILES:

Fc1cc(ccc1OC)CN1c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C19H14FNO2/c1-23-17-9-8-12(10-15(17)20)11-21-16-7-3-5-13-4-2-6-14(18(13)16)19(21)22/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3526 kcal/mol

Physical Properties
Molecular Weight: 307.324 g/mol	logS: -5.59452	SlogP: 4.4143	Reactive groups: 0

Topological Properties
Globularity: 0.126513	Sterimol/B1: 2.17324	Sterimol/B2: 4.30264	Sterimol/B3: 5.71929
Sterimol/B4: 5.83096	Sterimol/L: 14.8849

Surface and Volume Properties
Accessible surface: 527.34	Positive charged surface: 306.755	Negative charged surface: 209.259	Volume: 285.875
Hydrophobic surface: 473.725	Hydrophilic surface: 53.615

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.