MMsINC Database Search


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MMsINC code: MMs00159401

Type: Neutral
Formula: C₂₃H₂₈N₂O₃

SMILES:

O(CC(=O)N1CCN(CC1)C(=O)CC(C)C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H28N2O3/c1-18(2)16-22(26)24-12-14-25(15-13-24)23(27)17-28-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.546 kcal/mol

Physical Properties
Molecular Weight: 380.488 g/mol	logS: -5.38321	SlogP: 3.4493	Reactive groups: 0

Topological Properties
Globularity: 0.0150943	Sterimol/B1: 2.35101	Sterimol/B2: 2.91436	Sterimol/B3: 3.64112
Sterimol/B4: 8.25032	Sterimol/L: 21.6721

Surface and Volume Properties
Accessible surface: 698.644	Positive charged surface: 447.085	Negative charged surface: 240.426	Volume: 385.375
Hydrophobic surface: 593.425	Hydrophilic surface: 105.219

Pharmacophoric Properties
Hydrogen bond donors: 0	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.