MMsINC Database Search


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MMsINC code: MMs03237831

Type: Neutral
Formula: C₂₄H₁₉N

SMILES:

n1c2c(c3c(cc2)cccc3)c(c2c3c(ccc12)cccc3)C(C)C

InChI:

InChI=1/C24H19N/c1-15(2)22-23-18-9-5-3-7-16(18)11-13-20(23)25-21-14-12-17-8-4-6-10-19(17)24(21)22/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1443.92 kcal/mol

Physical Properties
Molecular Weight: 321.423 g/mol	logS: -9.08022	SlogP: 6.8178	Reactive groups: 0

Topological Properties
Globularity: 0.0378798	Sterimol/B1: 2.45758	Sterimol/B2: 2.72258	Sterimol/B3: 4.43578
Sterimol/B4: 7.46846	Sterimol/L: 14.8137

Surface and Volume Properties
Accessible surface: 524.789	Positive charged surface: 276.776	Negative charged surface: 222.492	Volume: 318
Hydrophobic surface: 465.99	Hydrophilic surface: 58.799

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.