MMsINC Database Search


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MMsINC code: MMs00962118

Type: Neutral
Formula: C₂₃H₃₀N₄O₂

SMILES:

O(C)c1ccc(cc1)Cn1c2ncccc2nc1CCC(=O)NCCCCCC

InChI:

InChI=1/C23H30N4O2/c1-3-4-5-6-15-24-22(28)14-13-21-26-20-8-7-16-25-23(20)27(21)17-18-9-11-19(29-2)12-10-18/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,24,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1842 kcal/mol

Physical Properties
Molecular Weight: 394.519 g/mol	logS: -5.49177	SlogP: 4.38367	Reactive groups: 0

Topological Properties
Globularity: 0.0315944	Sterimol/B1: 2.89139	Sterimol/B2: 4.57329	Sterimol/B3: 6.05439
Sterimol/B4: 7.18331	Sterimol/L: 21.5643

Surface and Volume Properties
Accessible surface: 742.792	Positive charged surface: 561.547	Negative charged surface: 181.245	Volume: 401.875
Hydrophobic surface: 626.605	Hydrophilic surface: 116.187

Pharmacophoric Properties
Hydrogen bond donors: 1	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.