MMsINC Database Search


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MMsINC code: MMs00909434

Type: Neutral
Formula: C₂₄H₂₆N₆O

SMILES:

O(C)c1ccccc1-c1c2n(nc1C)C(N1CCN(CC1)c1ncccc1)=CC(=N2)C

InChI:

InChI=1/C24H26N6O/c1-17-16-22(29-14-12-28(13-15-29)21-10-6-7-11-25-21)30-24(26-17)23(18(2)27-30)19-8-4-5-9-20(19)31-3/h4-11,16H,12-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=220.427 kcal/mol

Physical Properties
Molecular Weight: 414.513 g/mol	logS: -4.87711	SlogP: 3.98872	Reactive groups: 0

Topological Properties
Globularity: 0.0786226	Sterimol/B1: 2.11447	Sterimol/B2: 4.38246	Sterimol/B3: 5.54376
Sterimol/B4: 9.32243	Sterimol/L: 19.7133

Surface and Volume Properties
Accessible surface: 720.902	Positive charged surface: 529.644	Negative charged surface: 191.258	Volume: 407.625
Hydrophobic surface: 666.871	Hydrophilic surface: 54.031

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.