MMsINC Database Search


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MMsINC code: MMs02336177

Type: Neutral
Formula: C₃₀H₃₀N₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.996 kcal/mol

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

Topological Properties
Globularity: 0.126618	Sterimol/B1: 2.27863	Sterimol/B2: 2.38458	Sterimol/B3: 4.78985
Sterimol/B4: 9.36087	Sterimol/L: 16.5311

Surface and Volume Properties
Accessible surface: 729.223	Positive charged surface: 551.767	Negative charged surface: 177.456	Volume: 453.25
Hydrophobic surface: 728.991	Hydrophilic surface: 0.23199999999997

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.