MMsINC Database Search


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MMsINC code: MMs02290662

Type: Neutral
Formula: C₁₉H₂₀FNO₂

SMILES:

Fc1ccc(Oc2ccc(cc2)C(=O)CCN2CCCC2)cc1

InChI:

InChI=1/C19H20FNO2/c20-16-5-9-18(10-6-16)23-17-7-3-15(4-8-17)19(22)11-14-21-12-1-2-13-21/h3-10H,1-2,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.731 kcal/mol

Physical Properties
Molecular Weight: 313.372 g/mol	logS: -4.09967	SlogP: 4.2866	Reactive groups: 0

Topological Properties
Globularity: 0.0404888	Sterimol/B1: 2.10846	Sterimol/B2: 2.96	Sterimol/B3: 4.55214
Sterimol/B4: 4.95444	Sterimol/L: 19.1943

Surface and Volume Properties
Accessible surface: 584.87	Positive charged surface: 374.436	Negative charged surface: 210.435	Volume: 307.875
Hydrophobic surface: 549.098	Hydrophilic surface: 35.772

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

MMs02290663
NCID-ZINC01651135