MMsINC Database Search


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MMsINC code: MMs02292596

Type: Neutral
Formula: C₂₇H₂₁N

SMILES:

[nH]1c2c(cc1-c1ccc(cc1)-c1ccccc1)cccc2Cc1ccccc1

InChI:

InChI=1/C27H21N/c1-3-8-20(9-4-1)18-24-12-7-13-25-19-26(28-27(24)25)23-16-14-22(15-17-23)21-10-5-2-6-11-21/h1-17,19,28H,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.746 kcal/mol

Physical Properties
Molecular Weight: 359.472 g/mol	logS: -8.29927	SlogP: 7.09267	Reactive groups: 0

Topological Properties
Globularity: 0.0372734	Sterimol/B1: 2.23737	Sterimol/B2: 2.24874	Sterimol/B3: 5.12105
Sterimol/B4: 9.19986	Sterimol/L: 18.6083

Surface and Volume Properties
Accessible surface: 646.758	Positive charged surface: 320.804	Negative charged surface: 309.684	Volume: 375.625
Hydrophobic surface: 636.797	Hydrophilic surface: 9.961

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.