MMsINC Database Search


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MMsINC code: MMs02689120

Type: Neutral
Formula: C₂₁H₂₀FNO

SMILES:

Fc1ccccc1COc1ccccc1CNc1ccc(cc1)C

InChI:

InChI=1/C21H20FNO/c1-16-10-12-19(13-11-16)23-14-17-6-3-5-9-21(17)24-15-18-7-2-4-8-20(18)22/h2-13,23H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7377 kcal/mol

Physical Properties
Molecular Weight: 321.395 g/mol	logS: -5.53642	SlogP: 5.85802	Reactive groups: 0

Topological Properties
Globularity: 0.0730926	Sterimol/B1: 3.49158	Sterimol/B2: 3.89238	Sterimol/B3: 6.2002
Sterimol/B4: 7.92066	Sterimol/L: 14.8597

Surface and Volume Properties
Accessible surface: 599.847	Positive charged surface: 336.747	Negative charged surface: 263.1	Volume: 326.375
Hydrophobic surface: 579.242	Hydrophilic surface: 20.605

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.