MMsINC Database Search


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MMsINC code: MMs00975705

Type: Neutral
Formula: C₂₆H₂₃N₃O₂

SMILES:

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

InChI:

InChI=1/C26H23N3O2/c1-16-8-9-19(12-17(16)2)29-26-22-14-21(31-4)10-11-24(22)27-15-23(26)25(28-29)18-6-5-7-20(13-18)30-3/h5-15H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.307 kcal/mol

Physical Properties
Molecular Weight: 409.489 g/mol	logS: -7.41779	SlogP: 5.87474	Reactive groups: 0

Topological Properties
Globularity: 0.0394599	Sterimol/B1: 2.81987	Sterimol/B2: 2.85932	Sterimol/B3: 4.30515
Sterimol/B4: 10.6659	Sterimol/L: 18.1655

Surface and Volume Properties
Accessible surface: 693.332	Positive charged surface: 460.094	Negative charged surface: 222.206	Volume: 402.125
Hydrophobic surface: 637.708	Hydrophilic surface: 55.624

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: 0

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Ions/Tautomers related molecules: no related molecules available.