MMsINC Database Search


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MMsINC code: MMs00537280

Type: Neutral
Formula: C₁₈H₁₅N

SMILES:

n1c2-c3cc(C)c(cc3Cc2cc2c1cccc2)C

InChI:

InChI=1/C18H15N/c1-11-7-14-10-15-9-13-5-3-4-6-17(13)19-18(15)16(14)8-12(11)2/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1799 kcal/mol

Physical Properties
Molecular Weight: 245.325 g/mol	logS: -5.47387	SlogP: 4.42281	Reactive groups: 0

Topological Properties
Globularity: 0.00998449	Sterimol/B1: 2.38577	Sterimol/B2: 2.51228	Sterimol/B3: 3.68431
Sterimol/B4: 5.02402	Sterimol/L: 15.1706

Surface and Volume Properties
Accessible surface: 487.28	Positive charged surface: 285.791	Negative charged surface: 190.889	Volume: 255
Hydrophobic surface: 461.425	Hydrophilic surface: 25.855

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.