MMsINC Database Search


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MMsINC code: MMs03306620

Type: Neutral
Formula: C₂₃H₂₇N₅O₂

SMILES:

O(C)c1cc2c(nc(nc2N2CCN(CC2)c2ncccc2)C2CCC2)cc1OC

InChI:

InChI=1/C23H27N5O2/c1-29-19-14-17-18(15-20(19)30-2)25-22(16-6-5-7-16)26-23(17)28-12-10-27(11-13-28)21-8-3-4-9-24-21/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=196.578 kcal/mol

Physical Properties
Molecular Weight: 405.502 g/mol	logS: -4.20657	SlogP: 3.6361	Reactive groups: 0

Topological Properties
Globularity: 0.0627908	Sterimol/B1: 2.55651	Sterimol/B2: 3.32526	Sterimol/B3: 3.864
Sterimol/B4: 11.5163	Sterimol/L: 17.8635

Surface and Volume Properties
Accessible surface: 713.122	Positive charged surface: 448.329	Negative charged surface: 93.0052	Volume: 395.5
Hydrophobic surface: 647.314	Hydrophilic surface: 65.808

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.