MMsINC Database Search


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MMsINC code: MMs01207305

Type: Neutral
Formula: C₂₄H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)Cn1c2c(CCCC2)c(C)c1C(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C24H25FN2O2/c1-16-21-5-3-4-6-22(21)27(15-17-7-9-18(25)10-8-17)23(16)24(28)26-19-11-13-20(29-2)14-12-19/h7-14H,3-6,15H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2247 kcal/mol

Physical Properties
Molecular Weight: 392.474 g/mol	logS: -5.20756	SlogP: 5.38996	Reactive groups: 0

Topological Properties
Globularity: 0.0778936	Sterimol/B1: 2.22627	Sterimol/B2: 2.36365	Sterimol/B3: 5.44252
Sterimol/B4: 10.1723	Sterimol/L: 17.7712

Surface and Volume Properties
Accessible surface: 659.397	Positive charged surface: 431.67	Negative charged surface: 227.727	Volume: 385
Hydrophobic surface: 608.222	Hydrophilic surface: 51.175

Pharmacophoric Properties
Hydrogen bond donors: 1	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.