MMsINC Database Search


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MMsINC code: MMs01824412

Type: Neutral
Formula: C₂₄H₂₉N₃O₂

SMILES:

O(C(C)C)c1cc2nc3c4c(n(c3nc2cc1OC(C)C)CCCC)cccc4

InChI:

InChI=1/C24H29N3O2/c1-6-7-12-27-20-11-9-8-10-17(20)23-24(27)26-19-14-22(29-16(4)5)21(28-15(2)3)13-18(19)25-23/h8-11,13-16H,6-7,12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.433 kcal/mol

Physical Properties
Molecular Weight: 391.515 g/mol	logS: -6.84689	SlogP: 6.3786	Reactive groups: 0

Topological Properties
Globularity: 0.0569664	Sterimol/B1: 2.23584	Sterimol/B2: 3.43455	Sterimol/B3: 5.29253
Sterimol/B4: 10.2199	Sterimol/L: 16.0822

Surface and Volume Properties
Accessible surface: 731.001	Positive charged surface: 498.112	Negative charged surface: 227.346	Volume: 401.625
Hydrophobic surface: 574.428	Hydrophilic surface: 156.573

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.