MMsINC Database Search


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MMsINC code: MMs02269244

Type: Neutral
Formula: C₃₀H₃₀N₂

SMILES:

N(C)(C)c1ccc(cc1)\C(=C(\c1ccc(N(C)C)cc1)/c1ccccc1)\c1ccccc1

InChI:

InChI=1/C30H30N2/c1-31(2)27-19-15-25(16-20-27)29(23-11-7-5-8-12-23)30(24-13-9-6-10-14-24)26-17-21-28(22-18-26)32(3)4/h5-22H,1-4H3/b30-29-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.785 kcal/mol

Physical Properties
Molecular Weight: 418.584 g/mol	logS: -7.66886	SlogP: 6.46058	Reactive groups: 0

Topological Properties
Globularity: 0.14851	Sterimol/B1: 2.26192	Sterimol/B2: 2.60822	Sterimol/B3: 4.55419
Sterimol/B4: 11.1547	Sterimol/L: 14.402

Surface and Volume Properties
Accessible surface: 728.408	Positive charged surface: 545.562	Negative charged surface: 182.847	Volume: 453.25
Hydrophobic surface: 727.72	Hydrophilic surface: 0.68799999999999

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