MMsINC Database Search


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MMsINC code: MMs00608340

Type: Neutral
Formula: C₂₁H₁₈FNO₂

SMILES:

Fc1ccc(cc1)CCNC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C21H18FNO2/c22-17-12-10-16(11-13-17)14-15-23-21(24)19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7235 kcal/mol

Physical Properties
Molecular Weight: 335.378 g/mol	logS: -5.43807	SlogP: 4.59047	Reactive groups: 0

Topological Properties
Globularity: 0.0527904	Sterimol/B1: 2.27376	Sterimol/B2: 3.51375	Sterimol/B3: 3.79159
Sterimol/B4: 8.19594	Sterimol/L: 18.6541

Surface and Volume Properties
Accessible surface: 615	Positive charged surface: 345.499	Negative charged surface: 269.5	Volume: 323
Hydrophobic surface: 574.099	Hydrophilic surface: 40.901

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.