MMsINC Database Search


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MMsINC code: MMs01184120

Type: Neutral
Formula: C₂₄H₃₀N₄O

SMILES:

O=C(N(Cc1cccnc1)Cc1nccn1Cc1c(cc(cc1C)C)C)C(C)C

InChI:

InChI=1/C24H30N4O/c1-17(2)24(29)28(14-21-7-6-8-25-13-21)16-23-26-9-10-27(23)15-22-19(4)11-18(3)12-20(22)5/h6-13,17H,14-16H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.235 kcal/mol

Physical Properties
Molecular Weight: 390.531 g/mol	logS: -3.86539	SlogP: 5.23566	Reactive groups: 0

Topological Properties
Globularity: 0.0850956	Sterimol/B1: 3.29177	Sterimol/B2: 4.98244	Sterimol/B3: 5.50116
Sterimol/B4: 5.9829	Sterimol/L: 18.3863

Surface and Volume Properties
Accessible surface: 676.553	Positive charged surface: 474.918	Negative charged surface: 201.635	Volume: 408.625
Hydrophobic surface: 591.108	Hydrophilic surface: 85.445

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: 1

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Ions/Tautomers related molecules: no related molecules available.