MMsINC Database Search


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MMsINC code: MMs00460757

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O=C1CC(Cc2nc3c(cccc3)c(NCc3ccc(cc3C)C)c12)(C)C

InChI:

InChI=1/C24H26N2O/c1-15-9-10-17(16(2)11-15)14-25-23-18-7-5-6-8-19(18)26-20-12-24(3,4)13-21(27)22(20)23/h5-11H,12-14H2,1-4H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.358 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -6.24145	SlogP: 5.88521	Reactive groups: 0

Topological Properties
Globularity: 0.048213	Sterimol/B1: 3.14796	Sterimol/B2: 3.30662	Sterimol/B3: 3.49543
Sterimol/B4: 9.52442	Sterimol/L: 16.1669

Surface and Volume Properties
Accessible surface: 621.481	Positive charged surface: 389.693	Negative charged surface: 226.867	Volume: 371.125
Hydrophobic surface: 541.491	Hydrophilic surface: 79.99

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.