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MMsINC code: MMs00558486

Type: Neutral
Formula: C₂₃H₂₇FN₂O₃

SMILES:

Fc1ccc(NC(=O)CCN2CCC(CC2)(C(OCC)=O)c2ccccc2)cc1

InChI:

InChI=1/C23H27FN2O3/c1-2-29-22(28)23(18-6-4-3-5-7-18)13-16-26(17-14-23)15-12-21(27)25-20-10-8-19(24)9-11-20/h3-11H,2,12-17H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6098 kcal/mol

Physical Properties
Molecular Weight: 398.478 g/mol	logS: -4.52801	SlogP: 3.7512	Reactive groups: 0

Topological Properties
Globularity: 0.0597652	Sterimol/B1: 2.49803	Sterimol/B2: 3.07571	Sterimol/B3: 4.63145
Sterimol/B4: 9.17436	Sterimol/L: 20.5067

Surface and Volume Properties
Accessible surface: 691.457	Positive charged surface: 444.09	Negative charged surface: 247.368	Volume: 387.625
Hydrophobic surface: 606.803	Hydrophilic surface: 84.654

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00558487
CHEMBLOCK-ZINC04576887