MMsINC Database Search


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MMsINC code: MMs03242132

Type: Neutral
Formula: C₂₇H₂₀N₂

SMILES:

[nH]1c-2c(CCc3c-2nc(cc3-c2ccccc2)-c2ccccc2)c2c1cccc2

InChI:

InChI=1/C27H20N2/c1-3-9-18(10-4-1)23-17-25(19-11-5-2-6-12-19)29-27-22(23)16-15-21-20-13-7-8-14-24(20)28-26(21)27/h1-14,17,28H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.312 kcal/mol

Physical Properties
Molecular Weight: 372.471 g/mol	logS: -7.82108	SlogP: 6.66244	Reactive groups: 0

Topological Properties
Globularity: 0.0293597	Sterimol/B1: 2.47259	Sterimol/B2: 3.03585	Sterimol/B3: 3.1071
Sterimol/B4: 12.3518	Sterimol/L: 16.1465

Surface and Volume Properties
Accessible surface: 646.206	Positive charged surface: 350.515	Negative charged surface: 280.893	Volume: 376
Hydrophobic surface: 602.716	Hydrophilic surface: 43.49

Pharmacophoric Properties
Hydrogen bond donors: 1	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.