MMsINC Database Search


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MMsINC code: MMs03275310

Type: Neutral
Formula: C₂₄H₂₈N₂O₃

SMILES:

O=C1N(CCCCN(C(=O)CCCC)c2ccc(cc2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C24H28N2O3/c1-3-4-11-22(27)25(19-14-12-18(2)13-15-19)16-7-8-17-26-23(28)20-9-5-6-10-21(20)24(26)29/h5-6,9-10,12-15H,3-4,7-8,11,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.775 kcal/mol

Physical Properties
Molecular Weight: 392.499 g/mol	logS: -5.9422	SlogP: 4.59462	Reactive groups: 0

Topological Properties
Globularity: 0.0384601	Sterimol/B1: 2.1744	Sterimol/B2: 3.41177	Sterimol/B3: 4.10765
Sterimol/B4: 11.1275	Sterimol/L: 20.1394

Surface and Volume Properties
Accessible surface: 725.963	Positive charged surface: 469.581	Negative charged surface: 256.382	Volume: 400.125
Hydrophobic surface: 598.35	Hydrophilic surface: 127.613

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.