MMsINC Database Search


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MMsINC code: MMs00929851

Type: Neutral
Formula: C₂₇H₂₇N₃

SMILES:

n1(cc(c2c1cccc2)C(c1ccc(N(C)C)cc1)c1c2c(n(c1)C)cccc2)C

InChI:

InChI=1/C27H27N3/c1-28(2)20-15-13-19(14-16-20)27(23-17-29(3)25-11-7-5-9-21(23)25)24-18-30(4)26-12-8-6-10-22(24)26/h5-18,27H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.586 kcal/mol

Physical Properties
Molecular Weight: 393.534 g/mol	logS: -5.1255	SlogP: 6.6346	Reactive groups: 0

Topological Properties
Globularity: 0.344174	Sterimol/B1: 2.28161	Sterimol/B2: 3.44938	Sterimol/B3: 7.51576
Sterimol/B4: 10.3116	Sterimol/L: 13.9876

Surface and Volume Properties
Accessible surface: 696.822	Positive charged surface: 481.295	Negative charged surface: 205.311	Volume: 412.75
Hydrophobic surface: 685.346	Hydrophilic surface: 11.476

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: 0

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Ions/Tautomers related molecules: no related molecules available.