MMsINC Database Search


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MMsINC code: MMs00975706

Type: Neutral
Formula: C₂₆H₂₃N₃O

SMILES:

O(C)c1cc(ccc1)-c1nn(c2c1cnc1c2cc(cc1)C)-c1cc(C)c(cc1)C

InChI:

InChI=1/C26H23N3O/c1-16-8-11-24-22(12-16)26-23(15-27-24)25(19-6-5-7-21(14-19)30-4)28-29(26)20-10-9-17(2)18(3)13-20/h5-15H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.848 kcal/mol

Physical Properties
Molecular Weight: 393.49 g/mol	logS: -7.84133	SlogP: 6.17456	Reactive groups: 0

Topological Properties
Globularity: 0.0406617	Sterimol/B1: 3.19418	Sterimol/B2: 3.89016	Sterimol/B3: 4.54055
Sterimol/B4: 8.91561	Sterimol/L: 16.7042

Surface and Volume Properties
Accessible surface: 675.835	Positive charged surface: 421.207	Negative charged surface: 244.777	Volume: 393.5
Hydrophobic surface: 627.835	Hydrophilic surface: 48

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.