MMsINC Database Search


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MMsINC code: MMs02395196

Type: Neutral
Formula: C₃₃H₂₉N

SMILES:

Nc1c(C)c(ccc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C33H29N/c1-24-29(31(25-14-6-2-7-15-25)26-16-8-3-9-17-26)22-23-30(33(24)34)32(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-23,31-32H,34H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=193.665 kcal/mol

Physical Properties
Molecular Weight: 439.602 g/mol	logS: -8.47046	SlogP: 7.93762	Reactive groups: 0

Topological Properties
Globularity: 0.23463	Sterimol/B1: 2.27288	Sterimol/B2: 5.86986	Sterimol/B3: 6.28772
Sterimol/B4: 7.518	Sterimol/L: 14.4994

Surface and Volume Properties
Accessible surface: 738.46	Positive charged surface: 417.855	Negative charged surface: 320.605	Volume: 463.875
Hydrophobic surface: 701.156	Hydrophilic surface: 37.304

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.