MMsINC Database Search


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MMsINC code: MMs00858486

Type: Neutral
Formula: C₂₄H₂₃FN₂O

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23FN2O/c25-22-14-8-7-13-21(22)24(28)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.195 kcal/mol

Physical Properties
Molecular Weight: 374.459 g/mol	logS: -5.30253	SlogP: 4.4686	Reactive groups: 0

Topological Properties
Globularity: 0.120037	Sterimol/B1: 2.51622	Sterimol/B2: 3.58425	Sterimol/B3: 4.1465
Sterimol/B4: 8.89988	Sterimol/L: 16.1802

Surface and Volume Properties
Accessible surface: 629.126	Positive charged surface: 375.951	Negative charged surface: 253.174	Volume: 368.5
Hydrophobic surface: 598.401	Hydrophilic surface: 30.725

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

MMs00858487
CHEMDIV-ZINC00753533