MMsINC Database Search


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MMsINC code: MMs03769933

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C(=O)c1c2CC(CCc2nc2c1cccc2)C)CC(=O)c1cc(n(C)c1C)C

InChI:

InChI=1/C24H26N2O3/c1-14-9-10-21-19(11-14)23(17-7-5-6-8-20(17)25-21)24(28)29-13-22(27)18-12-15(2)26(4)16(18)3/h5-8,12,14H,9-11,13H2,1-4H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9111 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.02244	SlogP: 4.71378	Reactive groups: 0

Topological Properties
Globularity: 0.083467	Sterimol/B1: 2.37671	Sterimol/B2: 6.17	Sterimol/B3: 6.58724
Sterimol/B4: 7.24345	Sterimol/L: 17.3981

Surface and Volume Properties
Accessible surface: 692.294	Positive charged surface: 450.523	Negative charged surface: 236.383	Volume: 389.25
Hydrophobic surface: 584.994	Hydrophilic surface: 107.3

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.