MMsINC Database Search


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MMsINC code: MMs01367707

Type: Neutral
Formula: C₂₄H₁₇ClFNO₂

SMILES:

Clc1cccc(F)c1COC(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

InChI=1/C24H17ClFNO2/c1-15-9-11-16(12-10-15)23-13-18(17-5-2-3-8-22(17)27-23)24(28)29-14-19-20(25)6-4-7-21(19)26/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.483 kcal/mol

Physical Properties
Molecular Weight: 405.856 g/mol	logS: -8.02142	SlogP: 6.62612	Reactive groups: 0

Topological Properties
Globularity: 0.0492804	Sterimol/B1: 2.19053	Sterimol/B2: 3.91815	Sterimol/B3: 4.65841
Sterimol/B4: 12.6183	Sterimol/L: 14.9779

Surface and Volume Properties
Accessible surface: 677.347	Positive charged surface: 323.045	Negative charged surface: 343.681	Volume: 373.75
Hydrophobic surface: 627.93	Hydrophilic surface: 49.417

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.