MMsINC Database Search


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MMsINC code: MMs00421012

Type: Neutral
Formula: C₂₅H₂₆N₄

SMILES:

n12nc(cc1N=C(C=C2N1CCC(CC1)C)c1ccccc1)-c1cc(ccc1)C

InChI:

InChI=1/C25H26N4/c1-18-11-13-28(14-12-18)25-17-22(20-8-4-3-5-9-20)26-24-16-23(27-29(24)25)21-10-6-7-19(2)15-21/h3-10,15-18H,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.908 kcal/mol

Physical Properties
Molecular Weight: 382.511 g/mol	logS: -7.06226	SlogP: 5.52322	Reactive groups: 0

Topological Properties
Globularity: 0.0373275	Sterimol/B1: 3.24006	Sterimol/B2: 3.77255	Sterimol/B3: 6.32553
Sterimol/B4: 8.36719	Sterimol/L: 17.4072

Surface and Volume Properties
Accessible surface: 693.086	Positive charged surface: 436.724	Negative charged surface: 256.362	Volume: 396.375
Hydrophobic surface: 634.229	Hydrophilic surface: 58.857

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.