MMsINC Database Search


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MMsINC code: MMs02374793

Type: Neutral
Formula: C₁₈H₂₃N

SMILES:

[nH]1c2c(cccc2CC=C(C)C)c(c1)CC=C(C)C

InChI:

InChI=1/C18H23N/c1-13(2)8-10-15-6-5-7-17-16(11-9-14(3)4)12-19-18(15)17/h5-9,12,19H,10-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1951 kcal/mol

Physical Properties
Molecular Weight: 253.389 g/mol	logS: -5.3127	SlogP: 5.18524	Reactive groups: 0

Topological Properties
Globularity: 0.106745	Sterimol/B1: 3.95698	Sterimol/B2: 3.97171	Sterimol/B3: 4.56359
Sterimol/B4: 4.74658	Sterimol/L: 15.6999

Surface and Volume Properties
Accessible surface: 541.72	Positive charged surface: 348.15	Negative charged surface: 189.008	Volume: 288.375
Hydrophobic surface: 480.207	Hydrophilic surface: 61.513

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: 1

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Ions/Tautomers related molecules: no related molecules available.