MMsINC Database Search


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MMsINC code: MMs02208585

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O=C1N(CCCN(C(=O)C)c2ccc(cc2)C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C24H22N2O3/c1-16-10-12-19(13-11-16)25(17(2)27)14-5-15-26-23(28)20-8-3-6-18-7-4-9-21(22(18)20)24(26)29/h3-4,6-13H,5,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1818 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -6.3861	SlogP: 4.18742	Reactive groups: 0

Topological Properties
Globularity: 0.074082	Sterimol/B1: 3.00674	Sterimol/B2: 3.31795	Sterimol/B3: 4.54733
Sterimol/B4: 8.94007	Sterimol/L: 17.6973

Surface and Volume Properties
Accessible surface: 658.216	Positive charged surface: 374.775	Negative charged surface: 272.243	Volume: 376.375
Hydrophobic surface: 567.626	Hydrophilic surface: 90.59

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.