MMsINC Database Search


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MMsINC code: MMs01189439

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O1c2c(OC1)cccc2CN(C(=O)C1(CC1)c1ccccc1)Cc1ncccc1

InChI:

InChI=1/C24H22N2O3/c27-23(24(12-13-24)19-8-2-1-3-9-19)26(16-20-10-4-5-14-25-20)15-18-7-6-11-21-22(18)29-17-28-21/h1-11,14H,12-13,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.695 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -4.17367	SlogP: 4.6037	Reactive groups: 0

Topological Properties
Globularity: 0.177693	Sterimol/B1: 4.07379	Sterimol/B2: 4.24925	Sterimol/B3: 5.3476
Sterimol/B4: 7.20579	Sterimol/L: 15.1725

Surface and Volume Properties
Accessible surface: 605.778	Positive charged surface: 369.136	Negative charged surface: 236.642	Volume: 375.375
Hydrophobic surface: 510.436	Hydrophilic surface: 95.342

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.