MMsINC Database Search


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MMsINC code: MMs01191588

Type: Neutral
Formula: C₂₃H₃₀FN₃O₃

SMILES:

Fc1ccc(cc1)C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)CCOC

InChI:

InChI=1/C23H30FN3O3/c1-16(2)22(28)25-20-10-11-21(26(3)4)18(14-20)15-27(12-13-30-5)23(29)17-6-8-19(24)9-7-17/h6-11,14,16H,12-13,15H2,1-5H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=191.208 kcal/mol

Physical Properties
Molecular Weight: 415.509 g/mol	logS: -4.17094	SlogP: 4.0414	Reactive groups: 0

Topological Properties
Globularity: 0.122326	Sterimol/B1: 4.63306	Sterimol/B2: 5.03137	Sterimol/B3: 5.46406
Sterimol/B4: 5.95197	Sterimol/L: 18.2552

Surface and Volume Properties
Accessible surface: 693.809	Positive charged surface: 519.435	Negative charged surface: 174.374	Volume: 409.125
Hydrophobic surface: 605.261	Hydrophilic surface: 88.548

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: no related molecules available.